SCHEMBL7773183

SCHEMBL7773183

COc1ccc(-c2cn(Cc3ccccc3)nc2-c2ccc(S(C)(=O)=O)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.61
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
PTGS1 P23219 4/20 0.47
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL7777498 0.91 PTGS2 (0.68) PTGS2PTGS1NPC1RAB9ALMNA
SCHEMBL7777871 0.90 PTGS2 (0.58) PTGS2KMT2AMEN1
SCHEMBL7780074 0.87 PTGS2 (0.64) PTGS2KMT2AMEN1PTGS1NPC1
SCHEMBL7779573 0.87 PTGS2 (0.64) PTGS2PTGS1NPC1RAB9ALMNA
SCHEMBL8628944 0.86 PTGS2 (0.80) PTGS2PTGS1
SCHEMBL7779698 0.85 MEN1 (0.59) PTGS2KMT2AMEN1PTGS1
SCHEMBL7779420 0.83 PTGS2 (0.57) PTGS2PTGS1
SCHEMBL7778031 0.83 KMT2A (0.60) PTGS2KMT2AMEN1PTGS1
SCHEMBL7779412 0.82 KMT2A (0.69) PTGS2KMT2AMEN1PTGS1
SCHEMBL7779982 0.82 MEN1 (0.55) PTGS2KMT2AMEN1PTGS1

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 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
US-5756530-A NON-STEROIDAL ANTIINFLAMMATORY AGENTS WITH REDUCED SIDE EFFECTS G. D. SEARLE & CO. (US) 1998-05-26 US disclosed
EP-0772597-A1 3,4-SUBSTITUTED PYRAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-05-14 EP disclosed
US-5580985-A ANTIARTHRITIC AGENT; SIDE EFFECT REDUCTION G. D. SEARLE & CO. (US) 1996-12-03 US disclosed
WO-1996003385-A1 3,4-SUBSTITUTED PYRAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-02-08 WO disclosed
US-5486534-A 3,4-substituted pyrazoles for the treatment of inflammation G. D. SEARLE & CO. (US) 1996-01-23 US disclosed