SCHEMBL8698002

SCHEMBL8698002

Cc1ccc(C(O)(c2cncnc2)c2ccco2)cc1

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 17/20 0.66
CYP3A4 P08684 1/20 0.41
CYP3A5 P20815 1/20 0.41
MAPT P10636 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
SCHEMBL8697229 0.86 CYP19A1 (0.55) CYP19A1CYP3A4CYP3A5
SCHEMBL8702831 0.85 CYP19A1 (0.66) CYP19A1CYP3A4CYP3A5
SCHEMBL8697420 0.85 CYP19A1 (0.66) CYP19A1CYP3A4CYP3A5
SCHEMBL8698067 0.82 CYP3A4 (0.47) CYP19A1CYP3A4CYP3A5
SCHEMBL8702199 0.79 CYP19A1 (0.45) CYP19A1
SCHEMBL8697545 0.74 CYP19A1 (0.57) CYP19A1CYP3A4CYP3A5
SCHEMBL8702825 0.74 CYP19A1 (0.60) CYP19A1CYP3A4MAPT
SCHEMBL3612581 0.71 CFTR (0.42) CYP19A1CYP3A4MAPT
SCHEMBL8697676 0.71 CYP19A1 (0.48) CYP19A1CYP3A4CYP3A5
SCHEMBL8697052 0.71 AR (0.41) 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