SCHEMBL8700459

SCHEMBL8700459

OC(c1ccc(Cl)cc1)(c1cncnc1)c1cc2ccccc2o1

nearest known ligand 0.78

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 18/20 0.78
CYP3A4 P08684 1/20 0.52
CYP3A5 P20815 1/20 0.52

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
SCHEMBL8696581 0.89 CYP19A1 (0.65) CYP19A1CYP3A4CYP3A5
SCHEMBL8697681 0.87 CYP19A1 (0.78) CYP19A1
SCHEMBL8702825 0.87 CYP19A1 (0.60) CYP19A1CYP3A4
SCHEMBL8696315 0.84 CYP19A1 (0.57) CYP19A1CYP3A4CYP3A5
SCHEMBL8699061 0.82 CYP19A1 (0.57) CYP19A1
SCHEMBL8703062 0.76 CYP19A1 (0.58) CYP19A1CYP3A4CYP3A5
SCHEMBL27282169 0.76 CYP19A1 (0.86) CYP19A1CYP3A4CYP3A5
SCHEMBL10837781 0.75 CYP19A1 (0.57) CYP19A1
SCHEMBL9651054 0.75 CYP19A1 (1.00) CYP19A1CYP3A4CYP3A5
SCHEMBL8700484 0.74 CYP19A1 (0.57) CYP19A1CYP3A4CYP3A5

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 claimed