SCHEMBL15088988

SCHEMBL15088988

CC1(C)c2ccccc2-c2cc3c(cc21)N(c1cc(-c2ccccc2)ccn1)c1cccc2cccc-3c12

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE6D O43924 1/20 0.37
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
COMT P21964 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
SCHEMBL15089100 0.92 PDK2 (0.35) GAACOMT
SCHEMBL15088851 0.88 PDE6D (0.37) PDE6D
SCHEMBL15089186 0.87 PDE6D (0.36) PDE6DKDM4EALDH1A1GAACASP1
SCHEMBL15089004 0.86 KDM4E (0.45) PDE6DKDM4EALDH1A1GAACASP1
SCHEMBL15088980 0.84 PDE6D (0.43) PDE6DALDH1A1
SCHEMBL15089002 0.83 PDE6D (0.34) PDE6D
SCHEMBL15088990 0.83 PDE6D (0.52) PDE6DALDH1A1
SCHEMBL15089088 0.82 PDE6D (0.43) PDE6D
SCHEMBL15089001 0.81 PDE6D (0.37) PDE6DKDM4EALDH1A1GAA
SCHEMBL15089045 0.81 CYP19A1 (0.37) PDE6DGAA

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