SCHEMBL9203885

SCHEMBL9203885

CSc1ccc(-c2cc(C(N)=O)nn2-c2ccccc2F)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.47
ALDH1A1 P00352 1/20 0.46
SCN9A Q15858 5/20 0.44
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
MARS1 P56192 4/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
FAAH O00519 1/20 0.39
PTGS1 P23219 1/20 0.39
CACNA1G O43497 1/20 0.39
CACNA1H O95180 1/20 0.39
NR3C2 P08235 1/20 0.39
RPA1 P27694 1/20 0.39
L3MBTL1 Q9Y468 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 0.87 SCN9A (0.45) PTGS2ALDH1A1SCN9AMARS1MEN1
SCHEMBL9202142 0.87 PTGS2 (0.52) PTGS2ALDH1A1SCN9AMARS1MEN1
SCHEMBL9207624 0.86 MARS1 (0.49) ALDH1A1SCN9AMAPTHTTMARS1
SCHEMBL9208216 0.83 PTGS2 (0.49) PTGS2ALDH1A1SCN9AMAPTHTT
SCHEMBL9201469 0.82 ALDH1A1 (0.43) PTGS2ALDH1A1SCN9AMAPTHTT
SCHEMBL9209766 0.81 MEN1 (0.56) PTGS2MEN1KMT2APTGS1RPA1
SCHEMBL9199551 0.81 MEN1 (0.56) PTGS2MEN1KMT2APTGS1RPA1
SCHEMBL9200442 0.78 PTGS2 (0.45) PTGS2ALDH1A1SCN9AMAPTMARS1
SCHEMBL9209855 0.77 PTGS1 (0.46) PTGS2ALDH1A1MARS1MEN1KMT2A
SCHEMBL9211018 0.77 MARS1 (0.56) PTGS2ALDH1A1MAPTHTTMARS1

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