Compounds. A set of compounds named SXX were provided by GSK, where XX was a twodigit number where integers lower than ten were preceded by a 0 (Table ), with mean values of pIC50 from experimental assay. Two of the compounds, S21 and S22, were reported as C01 and C28 in a previous publication . All compounds shared the same scaffold (Table ). The compounds were docked into the binding pocket of SMYD3 using Glide . Modelling was carried out on a GSK internal structural precursor to 6P7Z. The rmsd between the structure used and 6P7Z is approximately 0.3 Å. The compounds were docked into the structure using Glide XP with a substructural constraint on the isoxazole-amide-piperidine-sulfone substructure (as shown in table 1) using Glide in Maestro 2015-2.