SCHEMBL7846099

SCHEMBL7846099

NS(=O)(=O)c1ccc(-c2sc(C(=O)NCc3ccc(Br)cc3)nc2-c2ccc(F)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 9/20 0.55
CA2 P00918 9/20 0.55
PTGS2 P35354 5/20 0.53
CA12 O43570 3/20 0.49
CA9 Q16790 2/20 0.49
PTGS1 P23219 2/20 0.48
POLB P06746 2/20 0.47
MAOB P27338 1/20 0.46
CA7 P43166 2/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
TSHR P16473 1/20 0.46
ATM Q13315 1/20 0.45

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
SCHEMBL7842502 1.00 CA1 (0.55) CA1CA2PTGS2CA12CA9
SCHEMBL7845738 0.95 CA1 (0.54) CA1CA2PTGS2CA12CA9
SCHEMBL7832892 0.95 CA1 (0.54) CA1CA2PTGS2CA12CA9
SCHEMBL7844099 0.90 PTGS2 (0.52) CA1CA2PTGS2CA12CA9
SCHEMBL7845271 0.90 PTGS2 (0.53) CA1CA2PTGS2CA12CA9
SCHEMBL7839688 0.90 PTGS2 (0.53) CA1CA2PTGS2CA12CA9
SCHEMBL7843757 0.90 PTGS2 (0.62) PTGS2PTGS1POLB
SCHEMBL7846006 0.90 PTGS2 (0.52) CA1CA2PTGS2CA12CA9
SCHEMBL7844958 0.90 PTGS2 (0.62) PTGS2PTGS1POLB
SCHEMBL7846341 0.90 CA2 (0.53) CA1CA2PTGS2CA12CA9

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