SCHEMBL14548947

SCHEMBL14548947

COc1ccc2cc(CN(c3ccc(C#N)cc3)n3cnnc3)ccc2c1

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 20/20 0.72
STS P08842 3/20 0.72

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
SCHEMBL14222133 0.87 CYP19A1 (0.67) CYP19A1STS
SCHEMBL3241605 0.84 CYP19A1 (0.69) CYP19A1STS
SCHEMBL3238186 0.84 CYP19A1 (1.00) CYP19A1STS
SCHEMBL3240988 0.84 CYP19A1 (1.00) CYP19A1STS
SCHEMBL2060137 0.83 CYP19A1 (1.00) CYP19A1STS
SCHEMBL13292448 0.82 CYP19A1 (0.67) CYP19A1STS
SCHEMBL8446302 0.81 CYP19A1 (0.86) CYP19A1STS
SCHEMBL13292451 0.81 CYP19A1 (1.00) CYP19A1STS
SCHEMBL13303314 0.79 CYP19A1 (0.66) CYP19A1STS
SCHEMBL2700675 0.79 CYP19A1 (0.74) CYP19A1STS

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
EP-1446388-B1 1,2,4-TRIAZOLE DERIVATIVES CONTAINING A SULPHAMATE GROUP AS AROMATASE INHIBITORS STERIX LTD (GB) 2013-01-09 EP disclosed