SCHEMBL15088892

SCHEMBL15088892

c1ccc(-c2ccnc(N3c4cc5c(cc4-c4cccc6cccc3c46)c3ccccc3n5-c3nccc(-c4ccccc4)n3)n2)cc1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE6D O43924 1/20 0.34
HCRTR1 O43613 8/20 0.33
HCRTR2 O43614 8/20 0.33
PDE10A Q9Y233 1/20 0.32
DPP4 P27487 1/20 0.31
AURKA O14965 1/20 0.30
HSP90AA1 P07900 1/20 0.30
PRKACA P17612 1/20 0.30
ADORA2A P29274 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
SCHEMBL15089133 0.94 PDE6D (0.35) PDE6DHCRTR1HCRTR2PDE10ADPP4
SCHEMBL15089266 0.92 PDE6D (0.38) PDE6DHCRTR1HCRTR2PDE10ADPP4
SCHEMBL15089070 0.89 PDE6D (0.33) PDE6DHCRTR1HCRTR2PDE10A
SCHEMBL15088951 0.88 PDE6D (0.37) PDE6D
SCHEMBL15089206 0.87 PDE6D (0.39) PDE6DHCRTR1HCRTR2PDE10A
SCHEMBL15088907 0.85 ALDH1A1 (0.34) PDE6D
SCHEMBL15088909 0.85 PDE6D (0.35) PDE6D
SCHEMBL15088833 0.85 PIK3CA (0.33) HCRTR1HCRTR2PDE10A
SCHEMBL15089117 0.84 PDE6D (0.38) PDE6D
SCHEMBL15089251 0.84 PDE6D (0.34) PDE6D

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