SCHEMBL15088922

SCHEMBL15088922

c1ccc(-c2ccc(N3c4cc5c(cc4-c4cccc6cccc3c46)c3ccccc3n5-c3ccc(-c4ccccn4)cn3)nc2)nc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
CNR2 P34972 1/20 0.37
KDM4E B2RXH2 6/20 0.37
ALDH1A1 P00352 4/20 0.37
GAA P10253 1/20 0.37
MAPK14 Q16539 1/20 0.35
PDE6D O43924 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.32
ACVR1B P36896 1/20 0.32
TGFBR1 P36897 1/20 0.32
HPGD P15428 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
LMNA P02545 2/20 0.32
NPY5R Q15761 1/20 0.32
CASP1 P29466 2/20 0.32
CASP7 P55210 1/20 0.32
PARP1 P09874 1/20 0.31
HTR2C P28335 1/20 0.31
DHODH Q02127 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
SCHEMBL15089135 0.98 KDM4E (0.40) MAPTCNR2KDM4EALDH1A1GAA
SCHEMBL15089060 0.94 MAPT (0.39) MAPTCNR2KDM4EALDH1A1GAA
SCHEMBL15089243 0.93 KDM4E (0.40) MAPTCNR2KDM4EALDH1A1GAA
SCHEMBL15089267 0.92 PDE6D (0.38) MAPTCNR2KDM4EALDH1A1GAA
SCHEMBL15089052 0.91 NPY5R (0.33) MAPTCNR2KDM4EALDH1A1GAA
SCHEMBL15089160 0.90 PDE6D (0.39) MAPTCNR2KDM4EALDH1A1GAA
SCHEMBL15089072 0.88 MAPT (0.37) MAPTCNR2KDM4EALDH1A1GAA
SCHEMBL15089140 0.87 KDM4E (0.36) MAPTKDM4EALDH1A1GAAMAPK14
SCHEMBL15088906 0.87 KDM4E (0.46) MAPTKDM4EALDH1A1GAAMAPK14
SCHEMBL15089061 0.87 NPY5R (0.35) MAPTKDM4EALDH1A1GAAMAPK14

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