SCHEMBL8936792

SCHEMBL8936792

Cn1nnc2ccc(Cc3ccc(C#N)cc3Cn3cncn3)cc21

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 20/20 0.48
CYP11B1 P15538 1/20 0.37
UGT1A4 P22310 1/20 0.35
PDE4D Q08499 1/20 0.35

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
SCHEMBL8936772 0.85 CYP19A1 (0.47) CYP19A1CYP11B1
SCHEMBL8936761 0.83 CYP19A1 (0.44) CYP19A1CYP11B1
SCHEMBL8936685 0.73 CYP19A1 (0.37) CYP19A1CYP11B1
SCHEMBL4245748 0.71 SLC9A1 (0.48) CYP19A1CYP11B1
SCHEMBL9204708 0.68 CYP19A1 (0.44) CYP19A1CYP11B1
SCHEMBL10584822 0.68 CYP19A1 (0.56) CYP19A1CYP11B1
SCHEMBL10584812 0.68 CYP19A1 (0.56) CYP19A1CYP11B1
SCHEMBL2285580 0.68 CYP19A1 (1.00) CYP19A1CYP11B1
SCHEMBL8936729 0.67 CYP19A1 (0.41) CYP19A1CYP11B1
SCHEMBL9201287 0.67 CYP19A1 (0.39) CYP19A1CYP11B1

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
US-5587392-A THERAPY FOR ESTROGEN DEPENDENT DISEASES MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1996-12-24 US disclosed
EP-0684235-A1 Novel azolyl methyl phenyl derivatives having aromatase inhibitory activity MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1995-11-29 EP disclosed