SCHEMBL15089281

SCHEMBL15089281

c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4c5c(ccc43)-c3cccc4cccc(c34)N5c3cccnc3)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
HTT P42858 2/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PDE6D O43924 1/20 0.36
GFER P55789 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CYP1A2 P05177 1/20 0.32
METAP2 P50579 1/20 0.32
CYP11B1 P15538 1/20 0.32
MAPK14 Q16539 1/20 0.32
CYP19A1 P11511 1/20 0.31
GSK3B P49841 5/20 0.31
RAB9A P51151 2/20 0.31
TNF P01375 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 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
SCHEMBL15089376 0.95 MAPT (0.39) MAPTHTTGAAMAPK1HSD17B10
SCHEMBL15089344 0.93 PDE6D (0.42) MAPTHTTGAAMAPK1HSD17B10
SCHEMBL15089319 0.92 HTT (0.44) MAPTHTTGAAMAPK1HSD17B10
SCHEMBL15089273 0.91 PDE6D (0.44) MAPTHTTPDE6DKDM4EALDH1A1
SCHEMBL15088853 0.91 HTT (0.44) MAPTHTTGAAMAPK1HSD17B10
SCHEMBL15089322 0.90 HTT (0.42) MAPTHTTGAAMAPK1HSD17B10
SCHEMBL15089305 0.90 HTT (0.36) MAPTHTTGAAMAPK1HSD17B10
SCHEMBL15089288 0.90 HTT (0.41) MAPTHTTGAAMAPK1HSD17B10
SCHEMBL15089282 0.89 MAPT (0.36) MAPTHTTGAAMAPK1HSD17B10
SCHEMBL15089403 0.89 HTT (0.43) MAPTHTTGAAMAPK1HSD17B10

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