SCHEMBL9207745

SCHEMBL9207745

CS(=O)(=O)c1ccc(-c2cc(C(=O)NC3CC3)nn2-c2ccc(F)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.60
PTGS2 P35354 11/20 0.60
PTGS1 P23219 4/20 0.60
EPHX2 P34913 2/20 0.60
CHRNA7 P36544 2/20 0.54
MALT1 Q9UDY8 2/20 0.52
HDAC3 O15379 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ATM Q13315 1/20 0.48

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
SCHEMBL9209545 0.86 AOC3 (0.66) AOC3PTGS2PTGS1CHRNA7MALT1
SCHEMBL6341661 0.85 PTGS2 (0.82) PTGS2PTGS1EPHX2CHRNA7
SCHEMBL9201802 0.84 MALT1 (0.53) PTGS2PTGS1EPHX2CHRNA7MALT1
SCHEMBL9055103 0.83 AOC3 (0.64) AOC3PTGS2PTGS1CHRNA7MEN1
SCHEMBL9210924 0.82 AOC3 (0.70) AOC3PTGS2PTGS1CHRNA7MEN1
SCHEMBL9203245 0.82 MEN1 (0.70) AOC3PTGS2PTGS1CHRNA7MEN1
SCHEMBL9206313 0.82 AOC3 (0.61) AOC3PTGS2PTGS1EPHX2CHRNA7
SCHEMBL3866718 0.82 PTGS2 (0.82) AOC3PTGS2PTGS1CHRNA7MEN1
SCHEMBL9206453 0.82 PTGS2 (0.67) AOC3PTGS2PTGS1EPHX2CHRNA7
SCHEMBL9199556 0.82 AOC3 (0.65) AOC3PTGS2PTGS1CHRNA7MEN1

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