SCHEMBL8697385

SCHEMBL8697385

Cc1ccc(C(F)(c2cncnc2)c2cc3ccccc3o2)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 11/20 0.46
NPC1 O15118 5/20 0.38
RAB9A P51151 5/20 0.38
ALDH1A1 P00352 4/20 0.37
MAPT P10636 3/20 0.37
HPGD P15428 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 3/20 0.36
MAOB P27338 2/20 0.36
PKM P14618 1/20 0.36
ACHE P22303 1/20 0.36
MAOA P21397 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL8700383 0.89 CYP19A1 (0.49) CYP19A1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL8700003 0.88 CYP19A1 (0.58) CYP19A1NPC1RAB9AMAOBMAOA
SCHEMBL8699061 0.87 CYP19A1 (0.57) CYP19A1
SCHEMBL8702170 0.84 CYP19A1 (0.43) CYP19A1MAPTCYP3A4
SCHEMBL8702825 0.82 CYP19A1 (0.60) CYP19A1NPC1RAB9AALDH1A1MAPT
SCHEMBL8697715 0.77 CYP19A1 (0.48) CYP19A1NPC1RAB9AMAOBMAOA
SCHEMBL8697882 0.74 CYP19A1 (0.40) CYP19A1NPC1RAB9AALDH1A1MAPT
SCHEMBL8702199 0.74 CYP19A1 (0.45) CYP19A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL8698505 0.72 CYP19A1 (0.38) CYP19A1ALDH1A1MAPTHPGDKDM4E
SCHEMBL8700871 0.72 CYP3A4 (0.43) CYP19A1MAPTMAOBMAOACYP3A4

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