SCHEMBL9201625

SCHEMBL9201625

CC(=O)Nc1ccc(-c2cc(C(N)=O)nn2-c2ccc(F)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.57
AOC3 Q16853 1/20 0.55
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
ATM Q13315 1/20 0.54
CHRNA7 P36544 2/20 0.52
PTGS1 P23219 1/20 0.50
PPP1CA P62136 1/20 0.49
MALT1 Q9UDY8 3/20 0.47
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
PKM P14618 1/20 0.46
RAB9A P51151 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
SMPD1 P17405 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
SCHEMBL9209895 0.84 MEN1 (0.57) PTGS2AOC3MEN1KMT2AATM
SCHEMBL9209581 0.84 MEN1 (0.60) PTGS2MEN1KMT2AATMCHRNA7
SCHEMBL9205384 0.83 PTGS2 (0.52) PTGS2AOC3MEN1KMT2AATM
SCHEMBL9201499 0.83 KMT2A (0.61) PTGS2MEN1KMT2AATMCHRNA7
SCHEMBL27694888 0.81 KMT2A (0.71) PTGS2MEN1KMT2AATMCHRNA7
SCHEMBL9199551 0.81 MEN1 (0.56) PTGS2AOC3MEN1KMT2AATM
SCHEMBL9207663 0.81 RPA1 (0.62) PTGS2MEN1KMT2AATMCHRNA7
SCHEMBL9209766 0.81 MEN1 (0.56) PTGS2AOC3MEN1KMT2AATM
SCHEMBL9202698 0.81 PTGS2 (0.60) PTGS2AOC3MEN1KMT2AATM
SCHEMBL9199556 0.80 AOC3 (0.65) PTGS2AOC3MEN1KMT2AATM

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