SCHEMBL9165091

SCHEMBL9165091

N#Cc1ccc(C(CO)c2nc[nH]n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 12/20 0.42
MAOB P27338 1/20 0.34
EPHX2 P34913 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MMP2 P08253 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33

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
SCHEMBL9167292 0.82 CYP19A1 (0.44) CYP19A1MAOB
SCHEMBL9167053 0.81 CYP19A1 (0.46) CYP19A1MAOB
SCHEMBL9167962 0.81 CYP19A1 (0.45) CYP19A1KDM4EL3MBTL1
SCHEMBL9158128 0.81 CYP19A1 (0.45) CYP19A1MAOBEPHX2
SCHEMBL1507799 0.80 CYP19A1 (0.46) CYP19A1
SCHEMBL8408994 0.79 CYP19A1 (0.45) CYP19A1EPHX2PTGDR2
SCHEMBL9160207 0.77 CYP19A1 (0.37) CYP19A1KDM5B
SCHEMBL13813062 0.77 CA12 (0.46) CYP19A1MAOBEPHX2KDM4EGAA
SCHEMBL8410909 0.77 CYP19A1 (0.54) CYP19A1EPHX2
SCHEMBL9165088 0.77 CA12 (0.47) CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5473078-A Aromatase inhibiting compounds CIBA-GEIGY CORPORATION (US) 1995-12-05 US disclosed
US-5352795-A Condensing triazolylmethylbenzonitrile with fluorobenzonitrile under basic conditions using alkali metal alkoxide CIBA-GEIGY CORPORATION (US) 1994-10-04 US disclosed
US-5112845-A Inhibitors of estrogen synthesis, veterinary medicine CIBA-GEIGY CORPORATION (US) 1992-05-12 US disclosed
US-4978672-A Alpha-heterocyclc substituted tolunitriles CIBA-GEIGY CORPORATION (US) 1990-12-18 US disclosed