SCHEMBL15089320

SCHEMBL15089320

c1ccc(-c2cc(-c3ccccn3)nc(-n3c4ccccc4c4c5c(ccc43)-c3cccc4cccc(c34)N5c3cccnc3)n2)nc1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GFER P55789 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MAPK14 Q16539 1/20 0.31
METAP1 P53582 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
SCHEMBL15088920 0.92 MAPT (0.37) HTTGAAMAPTMAPK1HSD17B10
SCHEMBL15089341 0.92 METAP1 (0.34) MAPK14METAP1
SCHEMBL15089283 0.90 HTT (0.38) HTTGAAMAPTMAPK1HSD17B10
SCHEMBL15089306 0.89 MAPT (0.35) HTTGAAMAPTMAPK1HSD17B10
SCHEMBL15089332 0.89 GAA (0.34) HTTGAAMAPTMAPK1HSD17B10
SCHEMBL15089305 0.88 HTT (0.36) HTTGAAMAPTMAPK1HSD17B10
SCHEMBL15089402 0.87 HTT (0.37) HTTGAAMAPTMAPK1HSD17B10
SCHEMBL15089304 0.86 HTT (0.42) HTTGAAMAPTMAPK1HSD17B10
SCHEMBL15088853 0.85 HTT (0.44) HTTGAAMAPTMAPK1HSD17B10
SCHEMBL15089062 0.85 MAPT (0.38) 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