SCHEMBL7833463

SCHEMBL7833463

CS(=O)(=O)c1ccccc1-c1sc(-c2ccccc2Cl)nc1-c1ccc(Br)cc1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 13/20 0.65
PTGS1 P23219 2/20 0.53
HSD11B1 P28845 1/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
RXFP1 Q9HBX9 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
RAB9A P51151 1/20 0.39
MEN1 O00255 1/20 0.39
PPARG P37231 1/20 0.39
KMT2A Q03164 1/20 0.39
NCOA2 Q15596 1/20 0.39
NCOA1 Q15788 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
PTGDR2 Q9Y5Y4 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
SCHEMBL7845047 0.92 PTGS2 (0.66) PTGS2PTGS1HSD11B1KDM4EALDH1A1
SCHEMBL7844755 0.92 PTGS2 (0.72) PTGS2PTGS1HSD11B1KDM4EALDH1A1
SCHEMBL7840911 0.91 PTGS2 (0.65) PTGS2PTGS1HSD11B1KDM4EALDH1A1
SCHEMBL7845071 0.91 PTGS2 (0.65) PTGS2PTGS1HSD11B1KDM4EALDH1A1
SCHEMBL7833474 0.90 PTGS2 (0.76) PTGS2PTGS1
SCHEMBL7843832 0.88 PTGS2 (0.59) PTGS2PTGS1HSD11B1KDM4EALDH1A1
SCHEMBL7842211 0.88 PTGS2 (0.64) PTGS2PTGS1HSD11B1KDM4EALDH1A1
SCHEMBL7833462 0.86 PTGS2 (0.87) PTGS2PTGS1
SCHEMBL7845070 0.86 PTGS2 (0.87) PTGS2PTGS1
SCHEMBL7847356 0.85 PTGS2 (0.58) PTGS2PTGS1HSD11B1KDM4EALDH1A1

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