SCHEMBL15089133

SCHEMBL15089133

c1ccc(-c2ccnc(N3c4cc5c(cc4-c4cccc6cccc3c46)c3ccccc3n5-c3ccccc3)n2)cc1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE6D O43924 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HCRTR1 O43613 9/20 0.32
HCRTR2 O43614 9/20 0.32
PDE10A Q9Y233 1/20 0.32
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
PTK2B Q14289 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
DPP4 P27487 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
SCHEMBL15088892 0.94 PDE6D (0.34) PDE6DHCRTR1HCRTR2PDE10ADPP4
SCHEMBL15089206 0.93 PDE6D (0.39) PDE6DHCRTR1HCRTR2PDE10AMAPT
SCHEMBL15089117 0.90 PDE6D (0.38) PDE6DKDM4EATML3MBTL1MAPT
SCHEMBL15089251 0.89 PDE6D (0.34) PDE6DMAPTKMT2ANPSR1
SCHEMBL15089124 0.89 KDM4E (0.40) PDE6DKDM4EATML3MBTL1
SCHEMBL15089266 0.86 PDE6D (0.38) PDE6DHCRTR1HCRTR2PDE10ADPP4
SCHEMBL15089110 0.85 PDE6D (0.36) PDE6DKDM4EATML3MBTL1
SCHEMBL15089118 0.85 PDE6D (0.39) PDE6DKDM4EATML3MBTL1MAPT
SCHEMBL15088951 0.84 PDE6D (0.37) PDE6DKDM4EL3MBTL1MAPTKMT2A
SCHEMBL15089139 0.83 PDE6D (0.38) PDE6DKDM4EATML3MBTL1KMT2A

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