SCHEMBL16879838

SCHEMBL16879838

CN(c1ccc(C#N)c(-c2ccc(OS(N)(=O)=O)cn2)c1)n1cnc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 20/20 0.46
▸ STS P08842 15/20 0.46

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
SCHEMBL16879688 0.88 CYP19A1 (0.59) CYP19A1STS
SCHEMBL16879757 0.82 CYP19A1 (0.42) CYP19A1STS
SCHEMBL16880153 0.81 CYP19A1 (0.45) CYP19A1STS
SCHEMBL16879867 0.79 STS (0.38) CYP19A1STS
SCHEMBL16879686 0.79 CYP19A1 (0.45) CYP19A1STS
SCHEMBL16879703 0.78 CYP19A1 (0.48) CYP19A1STS
SCHEMBL16879691 0.76 CYP19A1 (0.45) CYP19A1STS
SCHEMBL16879760 0.74 CYP19A1 (0.37) CYP19A1STS
SCHEMBL16879494 0.73 CYP19A1 (0.57) CYP19A1STS
SCHEMBL16879495 0.73 CYP19A1 (0.35) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3089966-A1 NEW SUBSTITUTED BIPHENYL ANALOGUES AS DUAL INHIBITORS OF AROMATASE AND SULFATASE Beaufour Ipsen Tianjin Pharmaceutical Co., Ltd (CN) 2016-11-09 — — EP disclosed
WO-2015100609-A1 NEW SUBSTITUTED BIPHENYL ANALOGUES AS DUAL INHIBITORS OF AROMATASE AND SULFATASE BEAUFOUR IPSEN TIANJIN PHARMACEUTICAL CO., LTD (CN) 2015-07-09 — — WO disclosed
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