SCHEMBL7779722

SCHEMBL7779722

Cc1c(-c2ccncc2)c(-c2ccc(S(C)(=O)=O)cc2)nn1C

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 16/20 0.50
PTGS1 P23219 3/20 0.47
MAPK14 Q16539 2/20 0.47
ALDH1A1 P00352 1/20 0.43
ALOX5 P09917 1/20 0.43
CSNK1A1 P48729 1/20 0.43
CSNK1D P48730 1/20 0.43
CSNK1E P49674 1/20 0.43
MAPK11 Q15759 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CSNK1A1L Q8N752 1/20 0.43

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
SCHEMBL7780877 1.00 PTGS2 (0.50) PTGS2PTGS1MAPK14ALDH1A1ALOX5
SCHEMBL7777591 0.88 MAPK14 (0.49) PTGS2PTGS1MAPK14ALOX5
SCHEMBL7779782 0.88 MAPK14 (0.49) PTGS2PTGS1MAPK14ALOX5
SCHEMBL7777309 0.82 PTGS2 (0.45) PTGS2PTGS1MAPK14ALDH1A1ALOX5
SCHEMBL7777656 0.82 PTGS2 (0.46) PTGS2PTGS1MAPK14ALDH1A1ALOX5
SCHEMBL7779934 0.82 MAPK14 (0.46) PTGS2PTGS1MAPK14ALDH1A1ALOX5
SCHEMBL7778026 0.82 PTGS2 (0.58) PTGS2PTGS1MAPK14ALDH1A1ALOX5
SCHEMBL7780120 0.82 PTGS2 (0.58) PTGS2PTGS1MAPK14ALDH1A1ALOX5
SCHEMBL7773091 0.82 PTGS2 (0.46) PTGS2PTGS1MAPK14ALDH1A1ALOX5
SCHEMBL7777686 0.82 MAPK14 (0.46) PTGS2PTGS1MAPK14ALDH1A1ALOX5

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0772597-B1 3,4-SUBSTITUTED PYRAZOLES FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2001-12-12 EP claimed
EP-1127878-A1 3,4 - substituted pyrazoles for the treatment of inflammation G.D. SEARLE & CO. (US) 2001-08-29 EP claimed
US-6028072-A 3,4-substituted pyrazoles for the treatment of inflammation G. D. SEARLE & CO. (US) 2000-02-22 US claimed
EP-0772597-A1 3,4-SUBSTITUTED PYRAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-05-14 EP claimed
WO-1996003385-A1 3,4-SUBSTITUTED PYRAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-02-08 WO claimed
EP-0772597-B1 3,4-SUBSTITUTED PYRAZOLES FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2001-12-12 EP disclosed
EP-1127878-A1 3,4 - substituted pyrazoles for the treatment of inflammation G.D. SEARLE & CO. (US) 2001-08-29 EP disclosed
US-6028072-A 3,4-substituted pyrazoles for the treatment of inflammation G. D. SEARLE & CO. (US) 2000-02-22 US disclosed