SCHEMBL1094338

SCHEMBL1094338

CC(C)(C)c1sc(S(=O)(=O)c2ccc(F)c(C#N)c2)nc1NC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.38
PIK3CA P42336 2/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
ACLY P53396 1/20 0.35
SGK1 O00141 2/20 0.35
SCN9A Q15858 1/20 0.34
ABCC9 O60706 3/20 0.34
ABCC8 Q09428 3/20 0.34
KCNJ11 Q14654 3/20 0.34
KCNJ8 Q15842 3/20 0.34
S1PR3 Q99500 1/20 0.34
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
CACNA1H O95180 1/20 0.33
GRM4 Q14833 1/20 0.33
BLM P54132 1/20 0.33
WRN Q14191 1/20 0.33
S1PR1 P21453 1/20 0.33

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
SCHEMBL1094850 0.77 PIK3CD (0.33) PIK3CDPIK3CAABCC9ABCC8KCNJ11
SCHEMBL326998 0.74 PIK3CD (0.33) PIK3CDPIK3CASGK1PIK3CBPIK3CG
SCHEMBL15867026 0.68 ACLY (0.49) PIK3CDPIK3CAPTGDR2HSP90AA1HSP90AB1
SCHEMBL28335542 0.64 PIK3CD (0.45) PIK3CDPIK3CAPTGDR2HSP90AA1HSP90AB1
SCHEMBL20766835 0.64 ACLY (0.50) PTGDR2HSP90AA1HSP90AB1ACLYSGK1
SCHEMBL1094341 0.64 PTGDR2 (0.35) PIK3CDPIK3CAPTGDR2HSP90AA1HSP90AB1
SCHEMBL4900667 0.63 GRM4 (0.59) ABCC9ABCC8KCNJ11KCNJ8GRM4
SCHEMBL3363359 0.63 RORC (0.45) HSP90AA1HSP90AB1ACLYSGK1RORC
SCHEMBL12327372 0.63 EPAS1 (0.55) PTGDR2HSP90AA1HSP90AB1ACLY
SCHEMBL15358865 0.62 ACLY (0.56) HSP90AA1HSP90AB1ACLYSGK1

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
US-8153814-B2 Sulfonamide derivatives PFIZER LIMITED (GB) 2012-04-10 US disclosed