SCHEMBL7842695

SCHEMBL7842695

CS(=O)(=O)c1ccc(-c2nc(NC(=O)c3cccc(F)c3)sc2-c2ccc(F)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 16/20 0.55
PTGS1 P23219 2/20 0.52
TP53 P04637 1/20 0.50
MAPT P10636 1/20 0.50
USP2 O75604 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
NPC1 O15118 2/20 0.49
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
MEN1 O00255 1/20 0.48
RAB9A P51151 1/20 0.48

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
SCHEMBL7843314 1.00 PTGS2 (0.55) PTGS2PTGS1TP53MAPTUSP2
SCHEMBL7832235 0.91 PTGS2 (0.53) PTGS2PTGS1MAPTUSP2L3MBTL1
SCHEMBL7842692 0.91 KMT2A (0.60) PTGS2PTGS1TP53MAPTUSP2
SCHEMBL7842452 0.91 KMT2A (0.60) PTGS2PTGS1TP53MAPTUSP2
SCHEMBL7839831 0.91 PTGS2 (0.53) PTGS2PTGS1MAPTUSP2L3MBTL1
SCHEMBL7846521 0.91 PTGS2 (0.58) PTGS2PTGS1USP2L3MBTL1NPC1
SCHEMBL7845039 0.91 PTGS2 (0.58) PTGS2PTGS1USP2L3MBTL1NPC1
SCHEMBL7846124 0.91 PTGS2 (0.62) PTGS2PTGS1MAPTUSP2L3MBTL1
SCHEMBL7842479 0.91 PTGS2 (0.62) PTGS2PTGS1MAPTUSP2L3MBTL1
SCHEMBL7845012 0.90 CCNA2 (0.51) PTGS2PTGS1TP53MAPTUSP2

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