SCHEMBL9209766

SCHEMBL9209766

CSc1ccc(-n2nc(C(N)=O)cc2-c2ccc(F)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
ATM Q13315 1/20 0.56
PTGS2 P35354 5/20 0.54
CHRNA7 P36544 3/20 0.54
PPP1CA P62136 2/20 0.51
PTGS1 P23219 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.46
RPA1 P27694 1/20 0.46
MALT1 Q9UDY8 2/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
KDM1A O60341 1/20 0.45
AOC3 Q16853 1/20 0.44
SMPD1 P17405 1/20 0.43

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
SCHEMBL9199551 1.00 MEN1 (0.56) MEN1KMT2AATMPTGS2CHRNA7
SCHEMBL9204760 0.89 KMT2A (0.72) MEN1KMT2AATMPTGS2CHRNA7
SCHEMBL9204658 0.89 KMT2A (0.72) MEN1KMT2AATMPTGS2CHRNA7
SCHEMBL9207456 0.88 KMT2A (0.59) MEN1KMT2AATMPTGS2CHRNA7
SCHEMBL8642939 0.87 CHRNA7 (0.47) MEN1KMT2AATMPTGS2CHRNA7
SCHEMBL9209855 0.86 PTGS1 (0.46) MEN1KMT2AATMPTGS2CHRNA7
SCHEMBL9209581 0.86 MEN1 (0.60) MEN1KMT2AATMPTGS2CHRNA7
SCHEMBL3865146 0.86 PTGS2 (0.69) MEN1KMT2AATMPTGS2CHRNA7
SCHEMBL9208842 0.86 MALT1 (0.65) MEN1KMT2AATMPTGS2CHRNA7
SCHEMBL6352446 0.85 PTGS2 (0.67) PTGS2CHRNA7PTGS1SMN1; SMN2

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 2 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
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