SCHEMBL15089372

SCHEMBL15089372

c1ccc(N2c3cccc4cccc(c34)-c3ccc4c(c32)c2ccccc2n4-c2ccc(-c3ccccn3)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE6D O43924 1/20 0.39
MAPK14 Q16539 1/20 0.33
KDM4E B2RXH2 3/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAPT P10636 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
PPP1CA P62136 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
DHODH Q02127 1/20 0.31
ALDH1A1 P00352 2/20 0.30
NPC1 O15118 1/20 0.30
TP53 P04637 1/20 0.30
HPGD P15428 1/20 0.30
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL15089402 0.92 HTT (0.37) PDE6DMAPK14MAPTNPSR1MAPK1
SCHEMBL15089316 0.92 PDE6D (0.34) PDE6DMAPK14KDM4EALDH1A1NPC1
SCHEMBL15088929 0.89 PDE6D (0.37) PDE6DMAPK14KDM4EMAPTALDH1A1
SCHEMBL15089300 0.88 PDE6D (0.51) PDE6DKDM4EATML3MBTL1MAPT
SCHEMBL15089290 0.87 KDM4E (0.43) PDE6DKDM4EATML3MBTL1MAPT
SCHEMBL15089271 0.87 KDM4E (0.41) PDE6DKDM4EATML3MBTL1MAPT
SCHEMBL15088956 0.87 MAPT (0.34) PDE6DMAPK14KDM4EL3MBTL1MAPT
SCHEMBL15089340 0.87 METAP1 (0.34) PDE6DMAPK14
SCHEMBL15089341 0.86 METAP1 (0.34) PDE6DMAPK14KDM4EALDH1A1NPC1
SCHEMBL15089272 0.85 KDM4E (0.40) PDE6DKDM4EL3MBTL1MAPTKMT2A

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-2013100497-A1 ORGANIC LIGHT-EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME 주식회사 두산 (KR) 2013-07-04 WO disclosed