SCHEMBL15089229

SCHEMBL15089229

c1ccc(C2(c3ccccc3)c3ccccc3-c3cc4c(cc32)N(c2ccc(-c3ccccn3)cn2)c2cccc3cccc-4c23)cc1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
PDK2 Q15119 1/20 0.34
PDE6D O43924 1/20 0.33
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30
BACE1 P56817 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
SCHEMBL15089212 0.88 KDM4E (0.43) KDM4EALDH1A1GAAMAPTPDE6D
SCHEMBL15089223 0.88 PDK2 (0.35) PDK2PDE6DBACE1
SCHEMBL15089005 0.87 CNR2 (0.36) CNR2KDM4EALDH1A1GAAMAPT
SCHEMBL15089180 0.82 PDE6D (0.37) KDM4EMAPTPDE6D
SCHEMBL15089179 0.81 MEN1 (0.37) KDM4EALDH1A1GAAMAPTPDK2
SCHEMBL15089186 0.81 PDE6D (0.36) KDM4EALDH1A1GAAMAPTPDE6D
SCHEMBL15089222 0.80 PDE6D (0.31) PDE6D
SCHEMBL15089227 0.79 PDK2 (0.35) KDM4EALDH1A1MAPTPDK2CASP1
SCHEMBL15089191 0.79 PDE6D (0.33) PDE6D
SCHEMBL15089202 0.78 PDK2 (0.34) KDM4EALDH1A1MAPTPDK2CASP1

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