SCHEMBL8700350

SCHEMBL8700350

N#Cc1ccc(C(c2ccco2)n2ccnc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 15/20 0.72
CYP11B1 P15538 3/20 0.57
CYP11B2 P19099 3/20 0.57
CYP17A1 P05093 2/20 0.47
MEN1 O00255 1/20 0.46
NR1I2 O75469 1/20 0.46
USP2 O75604 1/20 0.46
ABCB11 O95342 1/20 0.46
ALDH1A1 P00352 1/20 0.46
PLA2G1B P04054 1/20 0.46
TP53 P04637 1/20 0.46
PGR P06401 1/20 0.46
HSP90AA1 P07900 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPT P10636 1/20 0.46
IDO1 P14902 1/20 0.46
HPGD P15428 1/20 0.46
MAOA P21397 1/20 0.46
CNR1 P21554 1/20 0.46
HTR2A P28223 1/20 0.46

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
SCHEMBL1507825 0.84 CYP19A1 (1.00) CYP19A1CYP11B1CYP11B2CYP17A1MEN1
SCHEMBL8696275 0.83 CYP19A1 (0.69) CYP19A1CYP11B1CYP11B2CYP17A1MEN1
SCHEMBL8697230 0.82 CYP19A1 (0.69) CYP19A1CYP11B1CYP11B2CYP17A1MEN1
SCHEMBL8702647 0.82 CYP19A1 (0.69) CYP19A1CYP11B1CYP11B2CYP17A1MEN1
SCHEMBL1507754 0.82 CYP19A1 (0.88) CYP19A1CYP11B1CYP11B2CYP17A1MEN1
SCHEMBL8696616 0.82 CYP19A1 (0.50) CYP19A1CYP11B1CYP11B2
SCHEMBL8698104 0.81 CYP19A1 (0.49) CYP19A1CYP11B1CYP11B2CYP17A1
SCHEMBL1507734 0.79 CYP19A1 (0.88) CYP19A1CYP11B1CYP11B2CYP17A1MEN1
SCHEMBL1507798 0.78 CYP19A1 (0.85) CYP19A1CYP11B1CYP11B2CYP17A1CYP3A4
SCHEMBL1507987 0.78 CYP19A1 (0.85) CYP19A1CYP11B1CYP11B2CYP17A1MEN1

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