SCHEMBL15089285

SCHEMBL15089285

c1ccc(-c2ccc3c(c2)c2cc4c(cc2n3-c2cc(-c3ccccn3)cc(-c3ccccn3)n2)N(c2cc(-c3ccccn3)cc(-c3ccccn3)n2)c2cccc3cccc-4c23)cc1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE6D O43924 1/20 0.35
METAP1 P53582 3/20 0.32
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
NPY5R Q15761 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
SCHEMBL15089057 0.95 IRAK4 (0.32) PDE6DMETAP1KDM4EALDH1A1GAA
SCHEMBL15089082 0.93 PDE6D (0.35) PDE6DKDM4EALDH1A1GAA
SCHEMBL15088821 0.91 METAP1 (0.34) METAP1NPY5R
SCHEMBL15088908 0.91 METAP1 (0.34) METAP1KDM4EALDH1A1GAANPY5R
SCHEMBL15089026 0.90 PDE6D (0.35) PDE6DKDM4EALDH1A1GAA
SCHEMBL15089361 0.90 PDE6D (0.35) PDE6DKDM4EALDH1A1GAA
SCHEMBL15088786 0.89 PDE6D (0.38) PDE6DKDM4EALDH1A1GAA
SCHEMBL15089265 0.88 PDE6D (0.39) PDE6D
SCHEMBL15089245 0.88 PDE6D (0.36) PDE6D
SCHEMBL15089144 0.88 PDE6D (0.37) PDE6DKDM4EALDH1A1GAA

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