SCHEMBL7843488

SCHEMBL7843488

NS(=O)(=O)c1ccc(-c2nc(C(=O)NCc3cccc(Br)c3)sc2-c2ccc(F)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.49
PTGS1 P23219 3/20 0.49
CA1 P00915 5/20 0.46
CA2 P00918 5/20 0.46
CA9 Q16790 3/20 0.46
MAOB P27338 2/20 0.43
EGFR P00533 1/20 0.43
ERBB2 P04626 1/20 0.43
CHRM4 P08173 1/20 0.42
CA12 O43570 2/20 0.41

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
SCHEMBL7846026 1.00 PTGS2 (0.49) PTGS2PTGS1CA1CA2CA9
SCHEMBL7841669 0.92 MAOB (0.52) PTGS2PTGS1CA1CA2CA9
SCHEMBL7845269 0.92 MAOB (0.52) PTGS2PTGS1CA1CA2CA9
SCHEMBL7844757 0.91 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL7844442 0.91 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL7843885 0.89 PTGS2 (0.53) PTGS2PTGS1CA1CA2MAOB
SCHEMBL7844142 0.89 PTGS2 (0.53) PTGS2PTGS1CA1CA2MAOB
SCHEMBL7846099 0.89 CA1 (0.55) PTGS2PTGS1CA1CA2CA9
SCHEMBL7842502 0.89 CA1 (0.55) PTGS2PTGS1CA1CA2CA9
SCHEMBL7839826 0.89 CA2 (0.53) PTGS2PTGS1CA1CA2CA9

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