SCHEMBL7844839

SCHEMBL7844839

COc1ccc(-c2nc(-c3ccccc3Cl)sc2-c2cc(C)cs2)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.49
PTGS1 P23219 2/20 0.44
GABRA1 P14867 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
CYP1A1 P04798 1/20 0.39
CYP1B1 Q16678 1/20 0.39
ALOX5 P09917 3/20 0.39
TEK Q02763 1/20 0.39
ADORA1 P30542 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
MAPT P10636 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
SCHEMBL7842150 0.90 PTGS2 (0.51) PTGS2PTGS1ALOX5KDM4EALDH1A1
SCHEMBL7832430 0.89 PTGS2 (0.50) PTGS2PTGS1CYP1A1CYP1B1KDM4E
SCHEMBL7843825 0.89 PTGS2 (0.55) PTGS2PTGS1CYP1A1CYP1B1KDM4E
SCHEMBL7846290 0.88 PTGS2 (0.49) PTGS2PTGS1KDM4EALDH1A1RXFP1
SCHEMBL7842651 0.87 PTGS2 (0.59) PTGS2PTGS1KDM4EALDH1A1RXFP1
SCHEMBL7844544 0.85 PTGS2 (0.45) PTGS2PTGS1KDM4EALDH1A1RXFP1
SCHEMBL7846621 0.83 PTGS2 (0.60) PTGS2PTGS1KDM4EALDH1A1RXFP1
SCHEMBL7839678 0.82 PTGS2 (0.65) PTGS2PTGS1
SCHEMBL7846633 0.82 PTGS2 (0.43) PTGS2PTGS1KDM4EALDH1A1RXFP1
SCHEMBL7843877 0.81 PTGS2 (0.61) PTGS2PTGS1CYP1A1CYP1B1KDM4E

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