SCHEMBL15089154

SCHEMBL15089154

c1ccc(-c2ccc3c(c2)c2cc4c(cc2n3-c2ccccc2)N(c2cccnc2)c2cccc3cccc-4c23)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.41
MAPT P10636 2/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PDE6D O43924 1/20 0.41
CYP1A2 P05177 2/20 0.34
METAP2 P50579 2/20 0.34
GFER P55789 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CYP11B1 P15538 2/20 0.33
CYP19A1 P11511 2/20 0.33
CYP17A1 P05093 1/20 0.33
CYP11B2 P19099 1/20 0.33
TNF P01375 1/20 0.33
MDM2 Q00987 1/20 0.32
MAPK14 Q16539 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL15089292 0.98 HTT (0.41) HTTMAPTGAAMAPK1HSD17B10
SCHEMBL15089146 0.94 PDE6D (0.38) HTTMAPTGAAMAPK1HSD17B10
SCHEMBL15089142 0.93 MAPT (0.36) HTTMAPTGAAMAPK1HSD17B10
SCHEMBL15089270 0.92 PDE6D (0.38) HTTMAPTGAAMAPK1HSD17B10
SCHEMBL15089158 0.91 PDE6D (0.41) HTTMAPTGAAMAPK1HSD17B10
SCHEMBL15089143 0.90 PDE6D (0.45) MAPTPDE6DTNFKDM4EMEN1
SCHEMBL15089123 0.90 HTT (0.44) HTTMAPTGAAMAPK1HSD17B10
SCHEMBL15089249 0.90 HTT (0.38) HTTMAPTGAAMAPK1HSD17B10
SCHEMBL15089338 0.90 PDE6D (0.50) HTTPDE6DKDM4EMEN1ALDH1A1
SCHEMBL15088916 0.90 MAPT (0.37) 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