SCHEMBL7844759

SCHEMBL7844759

CS(=O)(=O)c1ccccc1-c1sc(C(=O)NCc2cccc(Br)c2)nc1-c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
MAOB P27338 3/20 0.42
PTGS2 P35354 8/20 0.41
BACE1 P56817 1/20 0.40
ROCK2 O75116 1/20 0.39
LMNA P02545 1/20 0.38
CHRM4 P08173 1/20 0.38
ALOX5 P09917 1/20 0.38
RORC P51449 1/20 0.38
CARM1 Q86X55 1/20 0.37

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
SCHEMBL7844443 0.93 MAOB (0.42) THRBRXFP1MAOBPTGS2BACE1
SCHEMBL7842485 0.92 MAOB (0.50) THRBMAOBPTGS2ROCK2CHRM4
SCHEMBL7843760 0.90 PTGS2 (0.45) RXFP1MAOBPTGS2LMNAALOX5
SCHEMBL7841078 0.90 PTGS2 (0.48) RXFP1MAOBPTGS2LMNAALOX5
SCHEMBL7844809 0.90 MAOB (0.48) MAOBPTGS2RORC
SCHEMBL7842469 0.89 MAOB (0.47) RXFP1MAOBPTGS2LMNAALOX5
SCHEMBL7832865 0.88 PTGS2 (0.44) MAOBPTGS2ROCK2ALOX5RORC
SCHEMBL7844201 0.88 PTGS2 (0.43) MAOBPTGS2ALOX5RORC
SCHEMBL7844757 0.87 PTGS2 (0.56) PTGS2
SCHEMBL7844442 0.87 PTGS2 (0.56) PTGS2

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