SCHEMBL15089258

SCHEMBL15089258

c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4c(c3)c3cc5c(cc3n4-c3ccccc3)N(c3cccc(-n4c6ccccc6c6ccccc64)c3)c3cccc4cccc-5c34)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE6D O43924 1/20 0.38
KDM4E B2RXH2 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PTGES O14684 1/20 0.32
PTGER4 P35408 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
SCHEMBL15089037 0.93 PDE6D (0.44) PDE6D
SCHEMBL15089169 0.92 PDE6D (0.41) PDE6DKDM4EATML3MBTL1PTGER4
SCHEMBL15089263 0.91 PDE6D (0.44) PDE6DKDM4EATML3MBTL1
SCHEMBL15089339 0.90 PDE6D (0.43) PDE6DKDM4EATML3MBTL1PTGER4
SCHEMBL15088927 0.89 PDE6D (0.41) PDE6D
SCHEMBL15088912 0.89 PDE6D (0.41) PDE6DKDM4EATML3MBTL1PTGER4
SCHEMBL15089195 0.89 PDE6D (0.44) PDE6DKDM4EATML3MBTL1PTGER4
SCHEMBL15089119 0.88 PDE6D (0.42) PDE6DKDM4EATML3MBTL1PTGER4
SCHEMBL15089152 0.87 PDE6D (0.38) PDE6DKDM4EATML3MBTL1
SCHEMBL15089194 0.87 PDE6D (0.47) PDE6DKDM4EATML3MBTL1PTGER4

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