SCHEMBL7845178

SCHEMBL7845178

NS(=O)(=O)c1ccc(-c2sc(C(=O)Nc3ccc(Br)cc3)nc2-c2ccc(F)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.56
CA2 P00918 12/20 0.53
CA1 P00915 11/20 0.53
CA4 P22748 5/20 0.53
CA7 P43166 4/20 0.53
PTGS1 P23219 2/20 0.51
CA9 Q16790 8/20 0.49
CA12 O43570 5/20 0.49
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
POLB P06746 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL7841525 1.00 PTGS2 (0.56) PTGS2CA2CA1CA4CA7
SCHEMBL7844194 0.95 CA2 (0.58) PTGS2CA2CA1CA4CA7
SCHEMBL7843932 0.95 CA2 (0.58) PTGS2CA2CA1CA4CA7
SCHEMBL7845603 0.90 PTGS2 (0.56) PTGS2CA2CA1CA4CA7
SCHEMBL7845412 0.90 CA2 (0.53) PTGS2CA2CA1CA4CA7
SCHEMBL7841885 0.90 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL7842788 0.90 CA2 (0.53) PTGS2CA2CA1CA4CA7
SCHEMBL7845614 0.90 PTGS2 (0.56) PTGS2CA2CA1CA4CA7
SCHEMBL7845746 0.89 PTGS2 (0.55) PTGS2CA2CA1CA4CA7
SCHEMBL7840455 0.89 PTGS2 (0.55) PTGS2CA2CA1CA4CA7

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