SCHEMBL9201802

SCHEMBL9201802

CSc1ccc(-c2cc(C(=O)NC3CC3)nn2-c2ccc(F)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 6/20 0.53
PTGS2 P35354 4/20 0.51
PTGS1 P23219 2/20 0.51
EPHX2 P34913 1/20 0.51
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ATM Q13315 1/20 0.49
NFKB1 P19838 2/20 0.47
NFKB2 Q00653 2/20 0.47
RELA Q04206 2/20 0.47
SMPD1 P17405 2/20 0.46
CHRNA7 P36544 1/20 0.45
PPP1CA P62136 1/20 0.45
FAAH O00519 1/20 0.45
CHRNB2 P17787 1/20 0.45
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
CHRNA4 P43681 1/20 0.45
KDM1A O60341 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
SCHEMBL9207745 0.84 AOC3 (0.60) MALT1PTGS2PTGS1EPHX2MEN1
SCHEMBL9204760 0.82 KMT2A (0.72) PTGS2MEN1KMT2AATMCHRNA7
SCHEMBL9204658 0.82 KMT2A (0.72) PTGS2MEN1KMT2AATMCHRNA7
SCHEMBL3865146 0.81 PTGS2 (0.69) MALT1PTGS2PTGS1MEN1KMT2A
SCHEMBL9207571 0.81 PTGS2 (0.58) MALT1PTGS2PTGS1EPHX2MEN1
SCHEMBL9209766 0.81 MEN1 (0.56) MALT1PTGS2PTGS1MEN1KMT2A
SCHEMBL9207456 0.81 KMT2A (0.59) MALT1PTGS2PTGS1MEN1KMT2A
SCHEMBL9199551 0.81 MEN1 (0.56) MALT1PTGS2PTGS1MEN1KMT2A
SCHEMBL9208842 0.79 MALT1 (0.65) MALT1PTGS2PTGS1MEN1KMT2A
SCHEMBL9201596 0.79 MALT1 (0.65) MALT1PTGS2MEN1KMT2AATM

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