SCHEMBL7845840

SCHEMBL7845840

CS(=O)(=O)c1ccccc1-c1nc(C(=O)Nc2cc(F)cc(F)c2)sc1-c1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
PTGS2 P35354 13/20 0.44
PTGS1 P23219 1/20 0.41
ALOX5 P09917 1/20 0.40
MAPT P10636 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
TP53 P04637 1/20 0.39
ESR1 P03372 1/20 0.39
ESRRG P62508 1/20 0.39
ATR Q13535 1/20 0.38

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
SCHEMBL7841016 0.93 PTGS2 (0.46) PTGS2PTGS1ALOX5MAPTNPC1
SCHEMBL7842512 0.92 ESRRG (0.48) PTGS2PTGS1ALOX5MAPTNPC1
SCHEMBL7844026 0.92 NPSR1 (0.45) NPSR1RXFP1PTGS2ALOX5MAPT
SCHEMBL7842353 0.92 NPC1 (0.48) PTGS2PTGS1ALOX5MAPTNPC1
SCHEMBL7832325 0.91 PTGS2 (0.45) NPSR1RXFP1PTGS2PTGS1ALOX5
SCHEMBL7841896 0.89 MAPT (0.46) PTGS2ALOX5MAPTNPC1RAB9A
SCHEMBL7842757 0.88 PTGS2 (0.46) PTGS2PTGS1MAPTNPC1RAB9A
SCHEMBL7844202 0.88 L3MBTL1 (0.44) NPSR1PTGS2PTGS1MAPTNPC1
SCHEMBL7845585 0.88 GRM5 (0.43) PTGS2PTGS1ALOX5MAPTNPC1
SCHEMBL7843511 0.86 PTGS2 (0.45) PTGS2PTGS1ALOX5

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