SCHEMBL8700600

SCHEMBL8700600

N#Cc1ccc(C(c2cc3ccccc3o2)n2ccnn2)cc1

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 18/20 0.65
CYP26A1 O43174 2/20 0.46
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL1906425 0.86 CYP19A1 (0.62) CYP19A1CYP26A1
SCHEMBL8697493 0.81 CYP19A1 (0.67) CYP19A1CYP26A1CYP1A2CYP2C19
SCHEMBL9945342 0.79 CYP19A1 (1.00) CYP19A1CYP2C19
SCHEMBL3279272 0.79 CYP19A1 (1.00) CYP19A1CYP26A1CYP1A2CYP2C19
Tetrazole SCHEMBL1552742 0.76 CYP19A1 (0.49) CYP19A1CYP26A1
SCHEMBL8702461 0.72 CYP19A1 (0.55) CYP19A1CYP26A1
SCHEMBL28562505 0.72 CYP19A1 (0.55) CYP19A1CYP26A1
SCHEMBL29707706 0.72 CYP19A1 (0.55) CYP19A1CYP26A1
SCHEMBL8702184 0.69 CYP19A1 (0.52) CYP19A1CYP1A2
SCHEMBL8702187 0.69 CYP19A1 (0.52) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998018791-A1 HETEROCYCLIC FURAN COMPOUNDS, THEIR PREPARATION AND USE AS AROMATASE INHIBITORS A. MENARINI INDUSTRIE FARMACEUTICHE RIUNITE S.R.L. (IT) 1998-05-07 WO disclosed