SCHEMBL9809064

SCHEMBL9809064

Cc1c(SC#N)c(=O)n(-c2cccc(C#N)c2)n1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX4 Q9NPH5 1/20 0.45
CYP19A1 P11511 1/20 0.42
NOTUM Q6P988 1/20 0.41
NSD2 O96028 1/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
FPR2 P25090 1/20 0.41
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
DRD2 P14416 2/20 0.38
ALDH1A1 P00352 2/20 0.38
BCHE P06276 1/20 0.38
PTGS2 P35354 1/20 0.38
ALOX15 P16050 1/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPBWR1 P48145 1/20 0.37
MCHR1 Q99705 1/20 0.37
ALOX5 P09917 1/20 0.37

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
SCHEMBL3882745 0.84 CYP19A1 (0.56) CYP19A1MEN1MAPTKMT2AMAOA
SCHEMBL536896 0.82 CYP19A1 (0.55) CYP19A1MEN1MAPTKMT2AMAOA
SCHEMBL9809125 0.78 CYP19A1 (0.44) CYP19A1MEN1MAPTKMT2AFPR2
SCHEMBL9809062 0.76 CYP19A1 (0.38) CYP19A1NOTUMMEN1MAPTKMT2A
SCHEMBL9809107 0.76 CYP19A1 (0.43) CYP19A1MEN1MAPTKMT2AFPR2
SCHEMBL9809100 0.72 MAPT (0.38) CYP19A1MEN1MAPTKMT2AMAOA
SCHEMBL9809111 0.71 CYP19A1 (0.37) CYP19A1MEN1MAPTKMT2AMAOA
SCHEMBL9809071 0.70 KDM4E (0.41) NOX4MEN1MAPTKMT2AALDH1A1
SCHEMBL9809063 0.69 BCHE (0.49) CYP19A1MEN1MAPTKMT2AMAOA
SCHEMBL9809114 0.68 CYP19A1 (0.43) CYP19A1MEN1MAPTKMT2AMAOA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5063245-A Hormone inhibitors NOVA PHARMACEUTICAL CORPORATION (US) 1991-11-05 US disclosed