SCHEMBL15089286

SCHEMBL15089286

c1ccc(-c2ccnc(N3c4cc5c(cc4-c4cccc6cccc3c46)c3cc(-c4ccccc4)ccc3n5-c3cc(-c4ccccc4)ccn3)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE6D O43924 1/20 0.40
PIK3CA P42336 1/20 0.33
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
PLG P00747 1/20 0.32
PLAU P00749 1/20 0.32
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
COMT P21964 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
SCHEMBL15089168 0.94 PDE6D (0.41) PDE6DPIK3CAKDM4EALDH1A1GAA
SCHEMBL15088915 0.94 PDE6D (0.37) PDE6DKDM4EALDH1A1GAACASP1
SCHEMBL15089361 0.94 PDE6D (0.35) PDE6DKDM4EALDH1A1GAACASP1
SCHEMBL15089026 0.94 PDE6D (0.35) PDE6DKDM4EALDH1A1GAACASP1
SCHEMBL15088815 0.94 PIK3CA (0.36) PDE6DPIK3CAALDH1A1COMT
SCHEMBL15089294 0.92 ALDH1A1 (0.39) PDE6DKDM4EALDH1A1GAA
SCHEMBL15089293 0.90 PDE6D (0.42) PDE6DKDM4EALDH1A1GAACASP1
SCHEMBL15089058 0.89 KDM4E (0.35) PDE6DKDM4EALDH1A1GAACASP1
SCHEMBL15088868 0.89 PIK3CA (0.37) PIK3CACOMT
SCHEMBL15088903 0.88 CYP19A1 (0.38) PDE6DPIK3CACOMT

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