SCHEMBL15089308

SCHEMBL15089308

c1ccc(-c2ccc(-n3c4ccccc4c4c5c(ccc43)-c3cccc4cccc(c34)N5c3cccnc3)nc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PDE6D O43924 1/20 0.36
G6PD P11413 1/20 0.33
GFER P55789 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MDM2 Q00987 1/20 0.31
MAPK14 Q16539 1/20 0.31

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
SCHEMBL15089345 0.97 HTT (0.38) HTTGAAMAPTMAPK1HSD17B10
SCHEMBL15089279 0.96 PDE6D (0.37) HTTGAAMAPTMAPK1HSD17B10
SCHEMBL15089289 0.93 PDE6D (0.42) PDE6D
SCHEMBL15089062 0.91 MAPT (0.38) HTTGAAMAPTMAPK1HSD17B10
SCHEMBL15089344 0.90 PDE6D (0.42) HTTGAAMAPTMAPK1HSD17B10
SCHEMBL15089309 0.90 HTT (0.38) HTTGAAMAPTMAPK1HSD17B10
SCHEMBL15089321 0.89 MAPT (0.36) HTTGAAMAPTMAPK1HSD17B10
SCHEMBL15089304 0.88 HTT (0.42) HTTGAAMAPTMAPK1HSD17B10
SCHEMBL15089376 0.88 MAPT (0.39) HTTGAAMAPTMAPK1HSD17B10
SCHEMBL15089319 0.87 HTT (0.44) HTTGAAMAPTMAPK1HSD17B10

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