SCHEMBL15088942

SCHEMBL15088942

Cc1cc(C)cc(-n2c3ccccc3c3c4c(ccc32)-c2cccc3cccc(c23)N4c2cccnc2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.39
GAA P10253 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 2/20 0.36
GFER P55789 1/20 0.36
CYP1A2 P05177 2/20 0.33
METAP2 P50579 1/20 0.33
ALOX12 P18054 1/20 0.33
PSD A5PKW4 1/20 0.33
MDM2 Q00987 1/20 0.32
TOP2A P11388 1/20 0.31
GSK3B P49841 3/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
GLA P06280 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 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
SCHEMBL15088853 0.91 HTT (0.44) HTTGAAHSD17B10MAPTMAPK1
SCHEMBL15089322 0.91 HTT (0.42) HTTGAAHSD17B10MAPTMAPK1
SCHEMBL15089319 0.90 HTT (0.44) HTTGAAHSD17B10MAPTMAPK1
SCHEMBL15089403 0.89 HTT (0.43) HTTGAAHSD17B10MAPTMAPK1
SCHEMBL15088932 0.89 PDE6D (0.36) HTTMAPTKDM4EALDH1A1
SCHEMBL15089375 0.89 HTT (0.42) HTTGAAHSD17B10MAPTMAPK1
SCHEMBL15089288 0.88 HTT (0.41) HTTGAAHSD17B10MAPTMAPK1
SCHEMBL15089281 0.88 MAPT (0.39) HTTGAAHSD17B10MAPTMAPK1
SCHEMBL15089376 0.87 MAPT (0.39) HTTGAAHSD17B10MAPTMAPK1
SCHEMBL15089344 0.86 PDE6D (0.42) HTTGAAHSD17B10MAPTMAPK1

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