SCHEMBL9206997

SCHEMBL9206997

CCOC(=O)c1cc(-c2ccc(C#N)cc2)n(-c2ccc(F)cc2)n1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.70
CA9 Q16790 3/20 0.58
KDM1A O60341 5/20 0.56
PTGS2 P35354 1/20 0.53
RPA1 P27694 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ATM Q13315 1/20 0.50
GABRA2 P47869 1/20 0.49
GABRB2 P47870 1/20 0.49
FAAH O00519 1/20 0.49
PPP1CA P62136 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
SCHEMBL22892018 0.89 CA9 (0.58) CHRNA7CA9KDM1ARPA1FAAH
SCHEMBL5148820 0.88 CA9 (0.57) CHRNA7CA9KDM1ARPA1FAAH
SCHEMBL9203679 0.88 CHRNA7 (0.77) CHRNA7CA9PTGS2MEN1KMT2A
SCHEMBL8922991 0.88 CA9 (0.56) CHRNA7CA9KDM1ARPA1FAAH
SCHEMBL20820101 0.88 KDM1A (0.57) CHRNA7CA9KDM1ARPA1FAAH
SCHEMBL20820086 0.86 KDM1A (0.60) CHRNA7CA9KDM1AFAAH
SCHEMBL9206474 0.86 CHRNA7 (0.77) CHRNA7CA9PTGS2RPA1MEN1
SCHEMBL9203093 0.85 CHRNA7 (0.72) CHRNA7CA9PTGS2MEN1KMT2A
SCHEMBL9212244 0.85 CHRNA7 (0.72) CHRNA7CA9PTGS2RPA1MEN1
SCHEMBL9202688 0.84 CHRNA7 (0.71) CHRNA7CA9PTGS2MEN1KMT2A

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