SCHEMBL8702011

SCHEMBL8702011

N#Cc1ccc(C(c2ccc(-c3ccccc3)o2)n2cnnc2)c(C#N)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT1 P17948 2/20 0.34
FLT4 P35916 2/20 0.34
KDR P35968 2/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
KDM4E B2RXH2 2/20 0.33
LMNA P02545 1/20 0.33
FNTA P49354 2/20 0.32
FNTB P49356 2/20 0.32
CYP19A1 P11511 2/20 0.32
GABRA1 P14867 2/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
GABRA5 P31644 2/20 0.32
GABRA3 P34903 2/20 0.32
AR P10275 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GALR3 O60755 1/20 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
SCHEMBL8700849 0.88 FNTA (0.36) FLT1FLT4KDRMAPTHPGD
SCHEMBL8698363 0.87 CYP19A1 (0.45) MEN1KMT2AMAPTHPGDCYP19A1
SCHEMBL8697636 0.82 CYP19A1 (0.45) MAPTHPGDFNTAFNTBCYP19A1
SCHEMBL8700053 0.78 CYP19A1 (0.51) MAPTHPGDKDM4EFNTAFNTB
SCHEMBL8697611 0.77 ALDH1A1 (0.33) LMNACYP19A1ALDH1A1MYC
SCHEMBL8700590 0.75 CYP19A1 (0.44) MEN1KMT2AMAPTHPGDFNTA
SCHEMBL8702874 0.74 IDO1 (0.35) MEN1KMT2AKDM4ELMNACYP19A1
SCHEMBL8697780 0.73 CYP19A1 (0.40) MEN1KMT2AMAPTHPGDCYP19A1
SCHEMBL8700623 0.69 CYP19A1 (0.64) MEN1KMT2AMAPTHPGDCYP19A1
SCHEMBL8696966 0.68 MAPT (0.40) MEN1KMT2AMAPTHPGDKDM4E

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 disclosed