SCHEMBL15089303

SCHEMBL15089303

c1ccc(N2c3cccc4cccc(c34)-c3ccc4c(c32)c2ccccc2n4-c2cccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccn3)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE6D O43924 1/20 0.38
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
CASP1 P29466 2/20 0.31
CASP7 P55210 1/20 0.31
MAPT P10636 1/20 0.30
TSHR P16473 1/20 0.30
HTT P42858 1/20 0.30
HBB P68871 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
PDE10A Q9Y233 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
SCHEMBL15089347 0.96 KDM4E (0.36) PDE6DKDM4EALDH1A1GAAMEN1
SCHEMBL15089291 0.94 PDE6D (0.36) PDE6DKDM4EALDH1A1GAAMEN1
SCHEMBL15088972 0.92 KDM4E (0.32) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL15089301 0.90 PDE6D (0.41) PDE6DKDM4EPDE10A
SCHEMBL15089272 0.90 KDM4E (0.40) PDE6DKDM4EALDH1A1GAAMEN1
SCHEMBL15089324 0.87 KDM4E (0.34) PDE6DKDM4EALDH1A1GAAMEN1
SCHEMBL15089276 0.86 PDE6D (0.44) PDE6DKDM4EALDH1A1KMT2AMAPT
SCHEMBL15089277 0.86 PDE6D (0.39) PDE6DKDM4EALDH1A1GAAMEN1
SCHEMBL15089302 0.85 PDE6D (0.38) PDE6DKDM4E
SCHEMBL15089373 0.83 PDE6D (0.40) PDE6DKDM4EALDH1A1GAAMEN1

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