SCHEMBL8700262

SCHEMBL8700262

N#Cc1ccc(C(c2cncnc2)c2ccc(-c3ccccc3)o2)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.42
FNTA P49354 2/20 0.36
FNTB P49356 2/20 0.36
KCNA5 P22460 2/20 0.35
KCNH2 Q12809 2/20 0.35
FLT1 P17948 1/20 0.35
FLT4 P35916 1/20 0.35
KDR P35968 1/20 0.35
GRM5 P41594 1/20 0.33
EGFR P00533 1/20 0.33
AR P10275 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
MAPKAPK2 P49137 2/20 0.32
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
PGGT1B P53609 1/20 0.32
EP300 Q09472 3/20 0.31

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
SCHEMBL8700537 0.79 CYP19A1 (0.47) CYP19A1KCNH2CYP3A4
SCHEMBL8700849 0.75 FNTA (0.36) CYP19A1FNTAFNTBKCNH2FLT1
SCHEMBL8700590 0.74 CYP19A1 (0.44) CYP19A1FNTAFNTBKCNH2CYP11B1
SCHEMBL8697944 0.71 CYP3A4 (0.43) CYP19A1FNTAFNTBFLT1FLT4
SCHEMBL8697489 0.70 CYP3A4 (0.49) CYP19A1FNTAFNTBFLT1FLT4
SCHEMBL8697941 0.67 CYP11B1 (0.34) FLT1FLT4KDRCYP11B1CYP11B2
SCHEMBL8702186 0.67 CYP19A1 (0.47) CYP19A1TSHR
SCHEMBL8697485 0.67 CYP11B1 (0.34) FLT1FLT4KDRCYP11B1CYP11B2
SCHEMBL8698606 0.65 ATM (0.32)
SCHEMBL8702011 0.65 FLT1 (0.34) CYP19A1FNTAFNTBFLT1FLT4

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 1 patent. 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