SCHEMBL15088929

SCHEMBL15088929

c1ccc(N2c3cccc4cccc(c34)-c3ccc4c(c32)c2ccccc2n4-c2ccc(-c3ccccn3)cn2)cc1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE6D O43924 1/20 0.37
CNR2 P34972 1/20 0.37
MAPT P10636 1/20 0.36
MAPK14 Q16539 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL15089062 0.93 MAPT (0.38) PDE6DCNR2MAPTMAPK14KDM4E
SCHEMBL15089289 0.90 PDE6D (0.42) PDE6D
SCHEMBL15089372 0.89 PDE6D (0.39) PDE6DMAPTMAPK14KDM4EALDH1A1
SCHEMBL15089272 0.88 KDM4E (0.40) PDE6DMAPTKDM4EALDH1A1GAA
SCHEMBL15089279 0.88 PDE6D (0.37) PDE6DMAPTMAPK14KDM4EALDH1A1
SCHEMBL15089340 0.87 METAP1 (0.34) PDE6DMAPK14
SCHEMBL15089316 0.86 PDE6D (0.34) PDE6DMAPK14KDM4EALDH1A1
SCHEMBL15089071 0.86 CNR2 (0.36) PDE6DCNR2MAPT
SCHEMBL15089318 0.85 PDE6D (0.36) PDE6DKDM4E
SCHEMBL15089308 0.85 HTT (0.37) PDE6DMAPTMAPK14GAA

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