SCHEMBL7844622

SCHEMBL7844622

NS(=O)(=O)c1ccc(-c2sc(C(=O)c3cccc(Br)c3)nc2-c2ccc(F)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 0.52
PTGS1 P23219 8/20 0.52
CCNA2 P20248 1/20 0.44
CDK2 P24941 1/20 0.44
CA1 P00915 5/20 0.43
CA2 P00918 5/20 0.43
CA9 Q16790 5/20 0.43
CA12 O43570 3/20 0.43
CA7 P43166 1/20 0.43
CA14 Q9ULX7 1/20 0.43

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
SCHEMBL7846445 1.00 PTGS2 (0.52) PTGS2PTGS1CCNA2CDK2CA1
SCHEMBL7844428 0.91 CCNA2 (0.53) PTGS2PTGS1CCNA2CDK2CA1
SCHEMBL7846465 0.91 CCNA2 (0.53) PTGS2PTGS1CCNA2CDK2CA1
SCHEMBL7834262 0.90 PTGS2 (0.61) PTGS2PTGS1
SCHEMBL7842983 0.90 PTGS2 (0.61) PTGS2PTGS1
SCHEMBL7841215 0.88 PTGS2 (0.54) PTGS2PTGS1CCNA2CDK2CA1
SCHEMBL7845016 0.88 PTGS2 (0.54) PTGS2PTGS1CCNA2CDK2CA1
SCHEMBL7840177 0.88 PTGS2 (0.58) PTGS2PTGS1CA2CA9CA12
SCHEMBL7833039 0.88 PTGS2 (0.58) PTGS2PTGS1CA2CA9CA12
SCHEMBL7845608 0.87 PTGS2 (0.57) PTGS2PTGS1CCNA2CDK2CA1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1125932-A2 Substituted thiazoles for the treatment of inflammation G.D. SEARLE & CO. (US) 2001-08-22 EP disclosed
US-5668161-A Substituted thiazoles for the treatment of inflammation G.D. SEARLE & CO. (US) 1997-09-16 US disclosed
EP-0772606-A1 SUBSTITUTED THIAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-05-14 EP disclosed
WO-1996003392-A1 SUBSTITUTED THIAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-02-08 WO disclosed