SCHEMBL7845269

SCHEMBL7845269

NS(=O)(=O)c1ccc(-c2sc(C(=O)NCc3cccc(F)c3)nc2-c2ccc(F)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.52
ROCK2 O75116 1/20 0.49
PTGS2 P35354 8/20 0.48
PTGS1 P23219 4/20 0.48
NTRK1 P04629 2/20 0.47
NTRK3 Q16288 1/20 0.47
NTRK2 Q16620 1/20 0.47
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CHRM4 P08173 1/20 0.44
USP7 Q93009 1/20 0.43
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
TP53 P04637 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
SCHEMBL7841669 1.00 MAOB (0.52) MAOBROCK2PTGS2PTGS1NTRK1
SCHEMBL7843488 0.92 PTGS2 (0.49) MAOBPTGS2PTGS1CA1CA2
SCHEMBL7843885 0.92 PTGS2 (0.53) MAOBPTGS2PTGS1CA1CA2
SCHEMBL7844142 0.92 PTGS2 (0.53) MAOBPTGS2PTGS1CA1CA2
SCHEMBL7846026 0.92 PTGS2 (0.49) MAOBPTGS2PTGS1CA1CA2
SCHEMBL7846341 0.91 CA2 (0.53) PTGS2PTGS1CA1CA2CA12
SCHEMBL7842539 0.91 PTGS2 (0.49) MAOBPTGS2PTGS1CA1CA2
SCHEMBL7846343 0.91 PTGS2 (0.49) MAOBPTGS2PTGS1CA1CA2
SCHEMBL7839826 0.91 CA2 (0.53) PTGS2PTGS1CA1CA2CA12
SCHEMBL7843450 0.90 PTGS2 (0.59) MAOBROCK2PTGS2PTGS1

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 2 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