SCHEMBL8700104

SCHEMBL8700104

FC(c1ccccc1)(c1cncnc1)c1ccco1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 12/20 0.45
▸ ATM Q13315 1/20 0.33
▸ TSHR P16473 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ GRM5 P41594 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ SMN1; SMN2 Q16637 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 0.88 CYP19A1 (0.56) CYP19A1
SCHEMBL8702199 0.86 CYP19A1 (0.45) CYP19A1GRM5KDM4ESMN1; SMN2
SCHEMBL8696804 0.86 CYP19A1 (0.66) CYP19A1CYP3A4
SCHEMBL8700017 0.83 CYP19A1 (0.42) CYP19A1CYP3A4
SCHEMBL8697229 0.77 CYP19A1 (0.55) CYP19A1CYP3A4
SCHEMBL8697427 0.76 CYP19A1 (0.42) CYP19A1CYP3A4CYP2C19
SCHEMBL8702192 0.74 CYP19A1 (0.41) CYP19A1ATMTSHRALDH1A1CYP3A4
SCHEMBL8700383 0.73 CYP19A1 (0.49) CYP19A1TSHRALDH1A1KDM4ESMN1; SMN2
SCHEMBL8700111 0.71 CYP3A4 (0.46) CYP19A1CYP1A2CYP3A4CYP2C19GRM5
SCHEMBL8697496 0.71 AR (0.41) CYP19A1CYP1A2CYP3A4CYP2C19

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
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