SCHEMBL8700871

SCHEMBL8700871

N#Cc1ccc(C(F)(c2cncnc2)c2cc3ccccc3o2)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.43
CYP3A5 P20815 2/20 0.43
CYP19A1 P11511 5/20 0.40
CYP2A6 P11509 1/20 0.35
KIF11 P52732 1/20 0.34
KCNH2 Q12809 1/20 0.32
CCR2 P41597 1/20 0.31
GRM5 P41594 1/20 0.31
MAPT P10636 1/20 0.31
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 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
SCHEMBL8698505 0.89 CYP19A1 (0.38) CYP3A4CYP3A5CYP19A1CYP2A6KCNH2
SCHEMBL8697487 0.86 CYP3A4 (0.49) CYP3A4CYP3A5CYP19A1CYP2A6KCNH2
SCHEMBL8702170 0.85 CYP19A1 (0.43) CYP3A4CYP3A5CYP19A1CYP2A6KIF11
SCHEMBL8697715 0.85 CYP19A1 (0.48) CYP19A1MAOAMAOBCYP11B1CYP11B2
SCHEMBL8697944 0.81 CYP3A4 (0.43) CYP3A4CYP3A5CYP19A1KIF11GRM5
SCHEMBL8700111 0.80 CYP3A4 (0.46) CYP3A4CYP3A5CYP19A1KIF11KCNH2
SCHEMBL8697501 0.77 CYP19A1 (0.44) CYP3A4CYP3A5CYP19A1CYP2A6KCNH2
SCHEMBL8700383 0.76 CYP19A1 (0.49) CYP19A1MAOB
SCHEMBL8700003 0.76 CYP19A1 (0.58) CYP19A1MAOAMAOB
SCHEMBL8696315 0.74 CYP19A1 (0.57) CYP3A4CYP3A5CYP19A1CYP2A6

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