SCHEMBL15088910

SCHEMBL15088910

c1ccc(-c2ccnc(N3c4cc5c(cc4-c4cccc6cccc3c46)c3ccccc3n5-c3cc(-c4ccccn4)ccn3)c2)nc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 2/20 0.35
GAA P10253 1/20 0.35
COMT P21964 1/20 0.34
MAPK14 Q16539 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
MCL1 Q07820 3/20 0.33
ACVR1B P36896 2/20 0.32
TGFBR1 P36897 2/20 0.32
HTR2C P28335 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.31
HPGD P15428 2/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MEN1 O00255 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
SCHEMBL15089058 0.94 KDM4E (0.35) KDM4EALDH1A1GAACOMTMAPK14
SCHEMBL15089111 0.94 KDM4E (0.33) KDM4EALDH1A1GAACOMTMAPK14
SCHEMBL15089026 0.91 PDE6D (0.35) KDM4EALDH1A1GAACOMTMAPK14
SCHEMBL15089361 0.91 PDE6D (0.35) KDM4EALDH1A1GAACOMTMAPK14
SCHEMBL15089109 0.90 KDM4E (0.35) KDM4EALDH1A1GAAMAPK14CASP1
SCHEMBL15088908 0.90 METAP1 (0.34) KDM4EALDH1A1GAAMAPK14CASP1
SCHEMBL15088915 0.89 PDE6D (0.37) KDM4EALDH1A1GAACOMTCASP1
SCHEMBL15089061 0.88 NPY5R (0.35) KDM4EALDH1A1GAAMAPK14CASP1
SCHEMBL15089036 0.87 ALDH1A1 (0.35) KDM4EALDH1A1GAAMAPK14CASP1
SCHEMBL15089135 0.86 KDM4E (0.40) KDM4EALDH1A1GAAMAPK14CASP1

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