SCHEMBL9205384

SCHEMBL9205384

NC(=O)c1cc(-c2ccc(NCC=O)cc2)n(-c2ccc(F)cc2)n1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.52
CHRNA7 P36544 2/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ATM Q13315 1/20 0.51
PTGS1 P23219 2/20 0.48
PPP1CA P62136 1/20 0.47
MALT1 Q9UDY8 2/20 0.43
CA9 Q16790 1/20 0.43
AOC3 Q16853 1/20 0.43
MAPK9 P45984 1/20 0.42
SMPD1 P17405 1/20 0.42
FAAH O00519 1/20 0.42
EPHX2 P34913 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
SCHEMBL27519717 0.90 KMT2A (0.65) PTGS2CHRNA7MEN1KMT2AATM
SCHEMBL9207390 0.89 SMPD1 (0.52) PTGS2PPP1CAMALT1CA9MAPK9
SCHEMBL9203678 0.86 EPHX2 (0.48) PTGS2CHRNA7PTGS1MALT1CA9
SCHEMBL9207613 0.86 PTGS2 (0.44) PTGS2CHRNA7PTGS1MALT1CA9
SCHEMBL9201370 0.85 CHRNA7 (0.68) PTGS2CHRNA7MEN1KMT2AATM
SCHEMBL9201625 0.83 PTGS2 (0.57) PTGS2CHRNA7MEN1KMT2AATM
SCHEMBL27400529 0.80 AOC3 (0.47) PTGS2CHRNA7MEN1KMT2AATM
SCHEMBL9201499 0.80 KMT2A (0.61) PTGS2CHRNA7MEN1KMT2AATM
SCHEMBL9202534 0.79 PTGS2 (0.62) PTGS2CHRNA7MEN1KMT2AATM
SCHEMBL9209581 0.79 MEN1 (0.60) PTGS2CHRNA7MEN1KMT2AATM

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