SCHEMBL9211018

SCHEMBL9211018

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

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MARS1 P56192 7/20 0.56
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ATM Q13315 1/20 0.51
PTGS2 P35354 1/20 0.50
RPA1 P27694 3/20 0.49
ALDH1A1 P00352 1/20 0.49
PPP1CA P62136 2/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL9202142 0.90 PTGS2 (0.52) MARS1MEN1KMT2AATMPTGS2
SCHEMBL9205210 0.85 CHRNA7 (0.54) MARS1PTGS2ALDH1A1MAPTSMN1; SMN2
SCHEMBL9204658 0.84 KMT2A (0.72) MARS1MEN1KMT2AATMPTGS2
SCHEMBL9204760 0.84 KMT2A (0.72) MARS1MEN1KMT2AATMPTGS2
SCHEMBL16876785 0.83 MARS1 (0.57) MARS1MEN1KMT2AATMRPA1
SCHEMBL9212272 0.83 MARS1 (0.55) MARS1MEN1KMT2AATMPTGS2
SCHEMBL9200861 0.81 SCN9A (0.45) MARS1MEN1KMT2AATMPTGS2
SCHEMBL27694774 0.78 KMT2A (0.69) MARS1MEN1KMT2AATMRPA1
SCHEMBL9202425 0.78 PTGS2 (0.48) PTGS2L3MBTL1
SCHEMBL23024350 0.77 L3MBTL1 (0.51) MARS1MEN1KMT2AALDH1A1L3MBTL1

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