SCHEMBL7779737

SCHEMBL7779737

COc1ccc(-c2cn(CCCO)nc2-c2ccc(S(N)(=O)=O)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.67
KMT2A Q03164 1/20 0.67
MAPKAPK2 P49137 1/20 0.53
CA9 Q16790 11/20 0.52
CA1 P00915 8/20 0.52
CA2 P00918 8/20 0.52
CA12 O43570 8/20 0.52
PTGS2 P35354 4/20 0.50
CA5A P35218 1/20 0.46
CA5B Q9Y2D0 1/20 0.46
GAA P10253 1/20 0.45
CHRNA7 P36544 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
SCHEMBL7779412 0.90 KMT2A (0.69) MEN1KMT2APTGS2GAA
SCHEMBL7773212 0.87 MEN1 (0.57) MEN1KMT2AMAPKAPK2CA9CA1
SCHEMBL7777564 0.87 CA9 (0.49) MEN1KMT2ACA9CA1CA2
SCHEMBL7780139 0.87 MEN1 (0.58) MEN1KMT2AMAPKAPK2CA9CA1
SCHEMBL7773166 0.86 PTGIR (0.56) MEN1KMT2ACA9CA1CA2
SCHEMBL7772996 0.85 MEN1 (0.59) MEN1KMT2AMAPKAPK2CA9CA1
SCHEMBL7779469 0.85 PTGS2 (0.56) MEN1KMT2ACA9CA1CA2
SCHEMBL7779740 0.85 CA1 (0.50) MEN1KMT2ACA9CA1CA2
SCHEMBL8628679 0.84 MEN1 (0.58) MEN1KMT2A
SCHEMBL7780516 0.84 PTGS2 (0.59) MEN1KMT2APTGS2

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 7 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
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