SCHEMBL8702199

SCHEMBL8702199

Cc1ccc(C(F)(c2cncnc2)c2ccco2)cc1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 12/20 0.45
GRM5 P41594 1/20 0.33
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
AR P10275 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL8697223 0.87 CYP19A1 (0.56) CYP19A1RAB9AAR
SCHEMBL8700104 0.86 CYP19A1 (0.45) CYP19A1GRM5KDM4ESMN1; SMN2
SCHEMBL8696804 0.85 CYP19A1 (0.66) CYP19A1
SCHEMBL8700017 0.82 CYP19A1 (0.42) CYP19A1AR
SCHEMBL8698002 0.79 CYP19A1 (0.66) CYP19A1
SCHEMBL8697882 0.74 CYP19A1 (0.40) CYP19A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL8697385 0.74 CYP19A1 (0.46) CYP19A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL8697427 0.72 CYP19A1 (0.42) CYP19A1AR
SCHEMBL8697496 0.68 AR (0.41) CYP19A1AR
SCHEMBL8700111 0.68 CYP3A4 (0.46) CYP19A1GRM5AR

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
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
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