SCHEMBL15089283

SCHEMBL15089283

c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4c5c(ccc43)-c3cccc4cccc(c34)N5c3cccnc3)n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.38
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NPSR1 Q6W5P4 2/20 0.33
GFER P55789 1/20 0.33
PDE6D O43924 1/20 0.33
ALOX12 P18054 1/20 0.31
CYP11B1 P15538 1/20 0.31
MAPK14 Q16539 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP19A1 P11511 1/20 0.30
DHODH Q02127 1/20 0.30
GSK3B P49841 2/20 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
SCHEMBL15089307 0.91 HTT (0.36) HTTMAPTGAAMAPK1HSD17B10
SCHEMBL15088963 0.91 MAPT (0.39) HTTMAPTGAAMAPK1HSD17B10
SCHEMBL15089320 0.90 HTT (0.36) HTTMAPTGAAMAPK1HSD17B10
SCHEMBL15089331 0.89 MAPT (0.36) HTTMAPTGAAMAPK1HSD17B10
SCHEMBL15089282 0.89 MAPT (0.36) HTTMAPTGAAMAPK1HSD17B10
SCHEMBL15089376 0.88 MAPT (0.39) HTTMAPTGAAMAPK1HSD17B10
SCHEMBL15089319 0.88 HTT (0.44) HTTMAPTGAAMAPK1HSD17B10
SCHEMBL15089281 0.88 MAPT (0.39) HTTMAPTGAAMAPK1HSD17B10
SCHEMBL15089344 0.87 PDE6D (0.42) HTTMAPTGAAMAPK1HSD17B10
SCHEMBL15088853 0.87 HTT (0.44) 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