SCHEMBL15089402

SCHEMBL15089402

c1ccc(-c2ccc(-n3c4ccccc4c4c5c(ccc43)-c3cccc4cccc(c34)N5c3cccnc3)cc2)nc1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.37
MAPT P10636 2/20 0.37
GAA P10253 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP2A6 P11509 1/20 0.33
GFER P55789 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PDE6D O43924 1/20 0.32
MAPK14 Q16539 1/20 0.31
GRM5 P41594 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
SCHEMBL15089305 0.92 HTT (0.36) HTTMAPTGAAMAPK1HSD17B10
SCHEMBL15089372 0.92 PDE6D (0.39) MAPTGAAMAPK1HSD17B10NPSR1
SCHEMBL15089062 0.91 MAPT (0.38) HTTMAPTGAAMAPK1HSD17B10
SCHEMBL15089344 0.90 PDE6D (0.42) HTTMAPTGAAMAPK1HSD17B10
SCHEMBL15089403 0.90 HTT (0.43) HTTMAPTGAAMAPK1HSD17B10
SCHEMBL15089319 0.89 HTT (0.44) HTTMAPTGAAMAPK1HSD17B10
SCHEMBL15088853 0.88 HTT (0.44) HTTMAPTGAAMAPK1HSD17B10
SCHEMBL15088920 0.88 MAPT (0.37) HTTMAPTGAAMAPK1HSD17B10
SCHEMBL15089332 0.88 GAA (0.34) HTTMAPTGAAMAPK1HSD17B10
SCHEMBL15089375 0.87 HTT (0.42) HTTMAPTGAAMAPK1HSD17B10

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