SCHEMBL15089168

SCHEMBL15089168

c1ccc(-c2ccnc(N3c4cc5c(cc4-c4cccc6cccc3c46)c3cc(-c4ccccc4)ccc3n5-c3ccccc3)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE6D O43924 1/20 0.41
PIK3CA P42336 1/20 0.32
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
PLG P00747 1/20 0.31
PLAU P00749 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
ALK Q9UM73 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
SCHEMBL15089139 0.94 PDE6D (0.38) PDE6DKDM4EALDH1A1GAACASP1
SCHEMBL15089286 0.94 PDE6D (0.40) PDE6DPIK3CAKDM4EALDH1A1GAA
SCHEMBL15089357 0.94 PDE6D (0.36) PDE6DKDM4EALDH1A1GAACASP1
SCHEMBL15089204 0.93 PDE6D (0.38) PDE6DKDM4EALDH1A1GAAALK
SCHEMBL15089136 0.92 PDE6D (0.43) PDE6DKDM4EALDH1A1GAACASP1
SCHEMBL15089356 0.90 PDE6D (0.34) PDE6DPIK3CAKDM4EALDH1A1GAA
SCHEMBL15089159 0.89 PDE6D (0.40) PDE6D
SCHEMBL15089137 0.88 PDE6D (0.42) PDE6DKDM4EALDH1A1GAA
SCHEMBL15088915 0.88 PDE6D (0.37) PDE6DKDM4EALDH1A1GAACASP1
SCHEMBL15089026 0.88 PDE6D (0.35) PDE6DKDM4EALDH1A1GAACASP1

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