SCHEMBL9201580

SCHEMBL9201580

COc1ccc(-c2cc(C(N)=O)nn2-c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 3/20 0.59
RPA1 P27694 3/20 0.58
CHRNA7 P36544 1/20 0.56
MALT1 Q9UDY8 1/20 0.54
PTGS2 P35354 7/20 0.54
PTGS1 P23219 4/20 0.54
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
MARS1 P56192 1/20 0.51
FAAH O00519 1/20 0.50
PTPN11 Q06124 1/20 0.49
ADORA2A P29274 1/20 0.48

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
SCHEMBL27333015 0.90 RPA1 (0.72) CA9RPA1CHRNA7MALT1PTGS2
SCHEMBL9201508 0.89 RPA1 (0.70) CA9RPA1CHRNA7MALT1PTGS2
SCHEMBL9207779 0.85 CA9 (0.75) CA9RPA1CHRNA7MALT1PTGS2
SCHEMBL5698731 0.85 PTGS1 (0.65) CA9RPA1CHRNA7PTGS2PTGS1
SCHEMBL9201561 0.84 CA9 (0.59) CA9RPA1CHRNA7MALT1PTGS2
SCHEMBL9207663 0.84 RPA1 (0.62) RPA1CHRNA7MALT1PTGS2PTGS1
SCHEMBL6353551 0.83 CA9 (0.82) CA9CHRNA7PTGS2PTGS1CA1
SCHEMBL6351220 0.83 CHRNA7 (0.78) CA9CHRNA7PTGS2PTGS1CA1
SCHEMBL9199063 0.83 CHRNA7 (0.66) CA9RPA1CHRNA7MALT1PTGS2
SCHEMBL7239500 0.82 MAPT (0.59) CA9PTGS2PTGS1CA1CA2

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
CN-1046506-C Pyrazole derivatives, processes for preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO (JP) 1999-11-17 CN disclosed
EP-0418845-B1 Pyrazole derivatives, processes for preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO (JP) 1995-08-09 EP disclosed
US-5134142-A PYRAZOLE DERIVATIVES, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-07-28 US disclosed
EP-0418845-A1 Pyrazole derivatives, processes for preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-03-27 EP disclosed