SCHEMBL4772646

SCHEMBL4772646

NS(=O)(=O)c1ccc(CCNC2=NC(=O)C(=Cc3cccc4cccnc34)S2)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.52
CA1 P00915 14/20 0.41
CA2 P00918 14/20 0.41
CA9 Q16790 13/20 0.41
CA12 O43570 2/20 0.41
CA14 Q9ULX7 2/20 0.41
CA4 P22748 2/20 0.41
CA7 P43166 2/20 0.41
CA3 P07451 1/20 0.41
CA6 P23280 1/20 0.41
CA13 Q8N1Q1 1/20 0.41
MRGPRX1 Q96LB2 1/20 0.39
SYK P43405 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2787646 0.84 PIK3CD (0.43) KMT2ACA1CA2CA9CA12
SCHEMBL2787648 0.84 PIK3CD (0.43) KMT2ACA1CA2CA9CA12
SCHEMBL4775747 0.81 GPR84 (0.38) KMT2A
SCHEMBL4765880 0.79 ROCK1 (0.43) KMT2ACA1CA2CA9CA4
SCHEMBL5225461 0.75 PIK3CD (0.43)
SCHEMBL4774422 0.75 CYP2C9 (0.36) KMT2A
SCHEMBL4872082 0.72 MAPT (0.46) KMT2A
SCHEMBL4770645 0.72 NEK2 (0.39)
SCHEMBL4867386 0.70 PIK3CD (0.47) KMT2A
SCHEMBL4776074 0.69 NPC1 (0.35) KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1567112-B1 THIAZOLIDIN-4-ONES FOR INHIBITING hYAK3 PROTEINS SMITHKLINE BEECHAM CORP (US) 2008-10-15 EP claimed