SCHEMBL15088976

SCHEMBL15088976

c1cncc(-c2cccc(N3c4cc5c(cc4-c4cccc6cccc3c46)c3ccccc3n5-c3cccc(-c4cccnc4)n3)n2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.37
CYP11B1 P15538 1/20 0.36
HSD17B10 Q99714 2/20 0.35
MAPT P10636 2/20 0.35
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
PDE6D O43924 1/20 0.35
PIM1 P11309 8/20 0.34
CYP2A6 P11509 1/20 0.34
CASP1 P29466 2/20 0.34
CASP7 P55210 2/20 0.34
TSHR P16473 1/20 0.34
PIM3 Q86V86 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
HPGD P15428 2/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL15089092 0.90 PDE6D (0.39) MAPTPDE6DHPGDKDM4EALDH1A1
SCHEMBL15088794 0.87 CYP19A1 (0.39) MAPK14CYP11B1HSD17B10MAPTGAA
SCHEMBL15088787 0.86 CYP11B1 (0.35) MAPK14CYP11B1HSD17B10MAPTGAA
SCHEMBL15089155 0.86 PDE6D (0.40) MAPK14CYP11B1HSD17B10MAPTGAA
SCHEMBL15088899 0.85 CYP11B1 (0.36) MAPK14CYP11B1HSD17B10MAPTGAA
SCHEMBL15088924 0.85 PDE6D (0.36) HSD17B10GAAMAPK1PDE6DCASP1
SCHEMBL15089140 0.84 KDM4E (0.36) MAPK14CYP11B1HSD17B10MAPTGAA
SCHEMBL15089242 0.83 CYP19A1 (0.40) MAPK14HSD17B10MAPTGAAMAPK1
SCHEMBL15088925 0.83 PDE6D (0.37) PDE6DKDM4EATM
SCHEMBL15089371 0.83 PDE6D (0.40) PDE6DKDM4EATM

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