SCHEMBL15089158

SCHEMBL15089158

c1ccc(-c2ccc3c(c2)c2cc4c(cc2n3-c2ccccc2)N(c2cncnc2)c2cccc3cccc-4c23)cc1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE6D O43924 1/20 0.41
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL15089261 0.97 PDE6D (0.42) PDE6D
SCHEMBL15089355 0.95 PDE6D (0.37) PDE6DGAAMAPTMAPK1HTT
SCHEMBL15089154 0.91 HTT (0.41) PDE6DGAAMAPTMAPK1HTT
SCHEMBL15089338 0.91 PDE6D (0.50) PDE6DHTT
SCHEMBL15089106 0.90 KDM4E (0.39) PDE6DGAAMAPTMAPK1HTT
SCHEMBL15089156 0.90 PDE6D (0.46) PDE6DHTT
SCHEMBL15089208 0.90 PDE6D (0.52) PDE6DHTT
SCHEMBL15089292 0.89 HTT (0.41) PDE6DGAAMAPTMAPK1HTT
SCHEMBL15089143 0.89 PDE6D (0.45) PDE6DMAPT
SCHEMBL15088838 0.89 PDE6D (0.45) PDE6DHTT

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