SCHEMBL15089186

SCHEMBL15089186

c1ccc(-c2ccnc(N3c4cc5c(cc4-c4cccc6cccc3c46)-c3ccccc3C5(c3ccccc3)c3ccccc3)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE6D O43924 1/20 0.36
KDM4E B2RXH2 3/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
OPRK1 P41145 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 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) PDE6DKDM4EALDH1A1GAACASP1
SCHEMBL15088988 0.87 PDE6D (0.37) PDE6DKDM4EALDH1A1GAACASP1
SCHEMBL15089180 0.86 PDE6D (0.37) PDE6DKDM4EMEN1LMNAMAPT
SCHEMBL15089201 0.83 PDE6D (0.33) PDE6D
SCHEMBL15089189 0.83 PDE6D (0.51) PDE6DKDM4EMEN1LMNAMAPT
SCHEMBL15089223 0.82 PDK2 (0.35) PDE6D
SCHEMBL15089076 0.81 PDK2 (0.35)
SCHEMBL15089213 0.81 KDM4E (0.40) PDE6DKDM4EALDH1A1MEN1LMNA
SCHEMBL15089229 0.81 CNR2 (0.35) PDE6DKDM4EALDH1A1GAACASP1
SCHEMBL15089203 0.80 PDE6D (0.34) PDE6DKDM4EMEN1LMNAMAPT

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