SCHEMBL15089062

SCHEMBL15089062

c1ccc(-c2ccc(-n3c4ccccc4c4c5c(ccc43)-c3cccc4cccc(c34)N5c3cccnc3)nc2)nc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
HTT P42858 2/20 0.37
GAA P10253 2/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CNR2 P34972 1/20 0.35
CYP2A6 P11509 1/20 0.33
MAPK14 Q16539 1/20 0.32
GFER P55789 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
PDE6D O43924 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL15088929 0.93 PDE6D (0.37) MAPTGAACNR2MAPK14PDE6D
SCHEMBL15089345 0.92 HTT (0.38) MAPTHTTGAAMAPK1HSD17B10
SCHEMBL15089308 0.91 HTT (0.37) MAPTHTTGAAMAPK1HSD17B10
SCHEMBL15089402 0.91 HTT (0.37) MAPTHTTGAAMAPK1HSD17B10
SCHEMBL15089304 0.90 HTT (0.42) MAPTHTTGAAMAPK1HSD17B10
SCHEMBL15089332 0.89 GAA (0.34) MAPTHTTGAAMAPK1HSD17B10
SCHEMBL15089305 0.88 HTT (0.36) MAPTHTTGAAMAPK1HSD17B10
SCHEMBL15089279 0.88 PDE6D (0.37) MAPTHTTGAAMAPK1HSD17B10
SCHEMBL15089309 0.87 HTT (0.38) MAPTHTTGAAMAPK1HSD17B10
SCHEMBL15089306 0.86 MAPT (0.35) 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