SCHEMBL7773174

SCHEMBL7773174

CN(C(=O)c1c(-c2ccc(S(C)(=O)=O)cc2)c(-c2ccncc2)nn1C)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
TP53 P04637 1/20 0.45
PTGS2 P35354 7/20 0.44
KDM4E B2RXH2 1/20 0.43
PTGS1 P23219 1/20 0.42
PIP4K2A P48426 1/20 0.38
PIP4K2C Q8TBX8 1/20 0.38
ALOX5 P09917 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
SCHEMBL7780043 1.00 KMT2A (0.47) KMT2AMEN1HPGDHTTTP53
SCHEMBL7777699 0.91 KMT2A (0.47) KMT2AMEN1HPGDHTTPTGS2
SCHEMBL7773225 0.91 KMT2A (0.47) KMT2AMEN1HPGDHTTPTGS2
SCHEMBL7779379 0.87 PTGS2 (0.41) PTGS2PTGS1ALOX5
SCHEMBL7778322 0.87 PTGS2 (0.41) PTGS2PTGS1ALOX5
SCHEMBL7777656 0.84 PTGS2 (0.46) PTGS2PTGS1ALOX5
SCHEMBL7773091 0.84 PTGS2 (0.46) PTGS2PTGS1ALOX5
SCHEMBL7779950 0.80 PTGS2 (0.48) KMT2AMEN1HTTPTGS2PTGS1
SCHEMBL7780582 0.80 PTGS2 (0.48) KMT2AMEN1HTTPTGS2PTGS1
SCHEMBL7780690 0.80 MAPK14 (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 10 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
EP-0772597-A1 3,4-SUBSTITUTED PYRAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-05-14 EP disclosed
WO-1996003385-A1 3,4-SUBSTITUTED PYRAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-02-08 WO disclosed