SCHEMBL15089347

SCHEMBL15089347

c1ccc(N2c3cccc4cccc(c34)-c3ccc4c(c32)c2ccccc2n4-c2cccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccn3)c2)nc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
PDE6D O43924 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
HPGD P15428 2/20 0.33
LMNA P02545 1/20 0.33
CASP1 P29466 2/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
HBB P68871 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CASP7 P55210 1/20 0.31
NPC1 O15118 1/20 0.31
S1PR4 O95977 1/20 0.31
POLB P06746 1/20 0.31
XBP1 P17861 1/20 0.31
S1PR1 P21453 1/20 0.31

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
SCHEMBL15089291 0.97 PDE6D (0.36) KDM4EALDH1A1GAAPDE6DMEN1
SCHEMBL15089303 0.96 PDE6D (0.38) KDM4EALDH1A1GAAPDE6DMEN1
SCHEMBL15089324 0.89 KDM4E (0.34) KDM4EALDH1A1GAAPDE6DMEN1
SCHEMBL15088972 0.88 KDM4E (0.32) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL15089301 0.85 PDE6D (0.41) KDM4EPDE6D
SCHEMBL15089272 0.85 KDM4E (0.40) KDM4EALDH1A1GAAPDE6DMEN1
SCHEMBL15089276 0.81 PDE6D (0.44) KDM4EALDH1A1PDE6DKMT2AMAPT
SCHEMBL15089304 0.81 HTT (0.42) KDM4EALDH1A1GAAPDE6DMEN1
SCHEMBL15089277 0.81 PDE6D (0.39) KDM4EALDH1A1GAAPDE6DMEN1
SCHEMBL15089302 0.81 PDE6D (0.38) KDM4EPDE6D

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