SCHEMBL15089137

SCHEMBL15089137

c1ccc(-c2ccc3c(c2)c2cc4c(cc2n3-c2ccccc2)N(c2ncccn2)c2cccc3cccc-4c23)cc1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE6D O43924 1/20 0.42
ALDH1A1 P00352 2/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31
KDM4E B2RXH2 1/20 0.30
GAA P10253 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
SCHEMBL15089256 0.95 PDE6D (0.38) PDE6DALDH1A1KDM4E
SCHEMBL15089264 0.94 PDE6D (0.41) PDE6DALDH1A1KDM4EGAA
SCHEMBL15089206 0.91 PDE6D (0.39) PDE6D
SCHEMBL15089136 0.90 PDE6D (0.43) PDE6DALDH1A1HTTHSD17B10KDM4E
SCHEMBL15089138 0.90 PDE6D (0.42) PDE6D
SCHEMBL15089124 0.89 KDM4E (0.40) PDE6DALDH1A1KDM4EGAA
SCHEMBL15089338 0.89 PDE6D (0.50) PDE6DALDH1A1HTTKDM4E
SCHEMBL15089207 0.89 PDE6D (0.41) PDE6D
SCHEMBL15089214 0.89 PDE6D (0.41) PDE6D
SCHEMBL15089208 0.88 PDE6D (0.52) PDE6DALDH1A1HTTKDM4E

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