SCHEMBL13952012

SCHEMBL13952012

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

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.34
ALDH1A1 P00352 2/20 0.32
ALDH3A1 P30838 1/20 0.32
ALDH1A3 P47895 1/20 0.32
CYP1A2 P05177 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
NQO2 P16083 1/20 0.31
CYP2A6 P11509 1/20 0.30
CYP2A13 Q16696 1/20 0.30
PNMT P11086 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
ATG4B Q9Y4P1 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 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
SCHEMBL13952011 0.96 APP (0.40) APPALDH1A1ALDH3A1ALDH1A3CYP1A2
SCHEMBL12310036 0.94 ALDH1A1 (0.35) APPALDH1A1CYP1A2HPGDHSD17B10
SCHEMBL13952010 0.89 CA1 (0.35) APPCA1CA2
SCHEMBL12091211 0.88 MAPT (0.39) APPALDH1A1CYP1A2HPGDHSD17B10
SCHEMBL12818757 0.88 APP (0.37) APPALDH1A1CYP1A2HPGDHSD17B10
SCHEMBL12091212 0.85 APP (0.40) APPALDH1A1CYP1A2HPGDHSD17B10
SCHEMBL10074379 0.85 RELA (0.41) APPCYP1A2KDM4EMAOAMAOB
SCHEMBL10074383 0.82 TRPA1 (0.42) APPALDH1A1CYP1A2HPGDKDM4E
SCHEMBL21184211 0.82 APP (0.46) APPALDH1A1CYP1A2HPGDHSD17B10
SCHEMBL30368166 0.80 ALDH1A1 (0.41) ALDH1A1CYP1A2HPGDPNMTCA1

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