SCHEMBL9207624

SCHEMBL9207624

CSc1ccc(-c2cc(C(N)=O)nn2-c2ccccc2Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MARS1 P56192 8/20 0.49
SCN9A Q15858 1/20 0.47
RPA1 P27694 2/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MALT1 Q9UDY8 1/20 0.41
PPP1CA P62136 1/20 0.41
RXRA P19793 2/20 0.41
NR1H2 P55055 2/20 0.41
NR1H3 Q13133 2/20 0.41
SMPD1 P17405 1/20 0.41

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
SCHEMBL9203885 0.86 PTGS2 (0.47) MARS1SCN9ARPA1ALDH1A1MAPT
SCHEMBL27714746 0.84 MARS1 (0.59) MARS1SCN9ARPA1ALDH1A1MAPT
SCHEMBL9201863 0.84 PDE4B (0.51) MARS1RPA1ALDH1A1KMT2ARXRA
SCHEMBL9201469 0.82 ALDH1A1 (0.43) MARS1SCN9ARPA1ALDH1A1MAPT
SCHEMBL9200861 0.78 SCN9A (0.45) MARS1SCN9ARPA1ALDH1A1MEN1
SCHEMBL9202142 0.78 PTGS2 (0.52) MARS1SCN9ARPA1ALDH1A1L3MBTL1
SCHEMBL9209855 0.77 PTGS1 (0.46) MARS1RPA1ALDH1A1L3MBTL1MEN1
SCHEMBL9199551 0.76 MEN1 (0.56) RPA1MEN1KMT2AMALT1PPP1CA
SCHEMBL9209766 0.76 MEN1 (0.56) RPA1MEN1KMT2AMALT1PPP1CA
SCHEMBL9206528 0.76 RXRA (0.40) MARS1ALDH1A1MAPTMEN1KMT2A

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