SCHEMBL9202142

SCHEMBL9202142

CSc1ccc(-c2cc(C(N)=O)nn2-c2ccc(F)cc2F)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.52
MARS1 P56192 2/20 0.44
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ATM Q13315 1/20 0.40
SCN9A Q15858 2/20 0.39
CHRNA7 P36544 2/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM1A O60341 4/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
PTGS1 P23219 1/20 0.38
RPA1 P27694 1/20 0.38

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
SCHEMBL9200861 0.91 SCN9A (0.45) PTGS2MARS1MEN1KMT2AATM
SCHEMBL9211018 0.90 MARS1 (0.56) PTGS2MARS1MEN1KMT2AATM
SCHEMBL9203885 0.87 PTGS2 (0.47) PTGS2MARS1MEN1KMT2ASCN9A
SCHEMBL9200442 0.85 PTGS2 (0.45) PTGS2MARS1MEN1KMT2AATM
SCHEMBL9199551 0.85 MEN1 (0.56) PTGS2MEN1KMT2AATMCHRNA7
SCHEMBL9209766 0.85 MEN1 (0.56) PTGS2MEN1KMT2AATMCHRNA7
SCHEMBL9205210 0.84 CHRNA7 (0.54) PTGS2MARS1CHRNA7CNR1CNR2
SCHEMBL9208779 0.83 PTGS2 (0.51) PTGS2MARS1CHRNA7PTGS1
SCHEMBL9207624 0.78 MARS1 (0.49) MARS1MEN1KMT2ASCN9AL3MBTL1
SCHEMBL9201469 0.77 ALDH1A1 (0.43) PTGS2MARS1MEN1KMT2ASCN9A

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