SCHEMBL13952011

SCHEMBL13952011

N#Cc1cccc2c(C#N)c(C=Cc3ccc(N(c4ccccc4)c4ccc(C=O)cc4)cc3)ccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.40
ATG4B Q9Y4P1 1/20 0.32
ALDH1A1 P00352 5/20 0.32
HPGD P15428 2/20 0.32
CYP1A2 P05177 1/20 0.32
HSD17B10 Q99714 1/20 0.32
NQO2 P16083 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
USP2 O75604 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
CTNNB1 P35222 1/20 0.31
ATM Q13315 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PRKCQ Q04759 1/20 0.31
PRKCD Q05655 1/20 0.31
CA1 P00915 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
SCHEMBL13952012 0.96 APP (0.34) APPATG4BALDH1A1HPGDCYP1A2
SCHEMBL12310036 0.91 ALDH1A1 (0.35) APPALDH1A1HPGDCYP1A2HSD17B10
SCHEMBL12091212 0.89 APP (0.40) APPATG4BALDH1A1HPGDCYP1A2
SCHEMBL13952010 0.88 CA1 (0.35) APPCA1CA2
SCHEMBL21184211 0.87 APP (0.46) APPALDH1A1HPGDCYP1A2HSD17B10
SCHEMBL10074383 0.86 TRPA1 (0.42) APPALDH1A1HPGDCYP1A2MAPT
SCHEMBL12818757 0.85 APP (0.37) APPALDH1A1HPGDCYP1A2HSD17B10
SCHEMBL12091211 0.85 MAPT (0.39) APPALDH1A1HPGDCYP1A2HSD17B10
SCHEMBL30368166 0.83 ALDH1A1 (0.41) ALDH1A1HPGDCYP1A2L3MBTL1PRKCQ
SCHEMBL10074384 0.82 APP (0.38) APPALDH1A1HPGDL3MBTL1MEN1

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
US-20090039769-A1 ORGANIC ELECTROLUMINESCENT DEVICE AND DISPLAY APPARATUS SONY CORPORATION (JP) 2009-02-12 US disclosed