SCHEMBL9201508

SCHEMBL9201508

COc1ccc(-c2cc(C(N)=O)nn2-c2ccc(OC)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RPA1 P27694 3/20 0.70
MALT1 Q9UDY8 1/20 0.65
CHRNA7 P36544 1/20 0.63
MARS1 P56192 1/20 0.60
FAAH O00519 3/20 0.58
PTGS2 P35354 6/20 0.56
PTGS1 P23219 2/20 0.56
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA9 Q16790 1/20 0.54
BCL2 P10415 2/20 0.52
MDM2 Q00987 2/20 0.52
MCL1 Q07820 2/20 0.52

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
SCHEMBL9207663 0.94 RPA1 (0.62) RPA1MALT1CHRNA7MARS1FAAH
SCHEMBL14505025 0.91 RPA1 (0.59) RPA1MALT1CHRNA7MARS1FAAH
SCHEMBL9199063 0.91 CHRNA7 (0.66) RPA1MALT1CHRNA7PTGS2PTGS1
SCHEMBL6351220 0.91 CHRNA7 (0.78) CHRNA7PTGS2PTGS1CA1CA2
SCHEMBL14504642 0.89 RPA1 (0.58) RPA1MALT1CHRNA7MARS1FAAH
SCHEMBL9201580 0.89 CA9 (0.59) RPA1MALT1CHRNA7MARS1FAAH
SCHEMBL6208270 0.89 RPA1 (0.57) RPA1MALT1CHRNA7MARS1FAAH
SCHEMBL9056282 0.87 RPA1 (0.90) RPA1MALT1CHRNA7MARS1BCL2
SCHEMBL27224492 0.87 RPA1 (0.55) RPA1MALT1CHRNA7MARS1FAAH
SCHEMBL5152432 0.87 RPA1 (0.60) RPA1MALT1CHRNA7MARS1FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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