SCHEMBL15089322

SCHEMBL15089322

c1cncc(N2c3cccc4cccc(c34)-c3ccc4c(c32)c2ccccc2n4-c2cccc(-n3c4ccccc4c4ccccc43)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.42
HSD17B10 Q99714 2/20 0.42
MAPT P10636 2/20 0.42
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP1A2 P05177 3/20 0.37
METAP2 P50579 3/20 0.37
GFER P55789 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CASP1 P29466 2/20 0.32
CASP7 P55210 2/20 0.32
TSHR P16473 1/20 0.32
KDM4E B2RXH2 2/20 0.31
GSK3B P49841 3/20 0.31
RAB9A P51151 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ALOX12 P18054 1/20 0.31
GLA P06280 1/20 0.31
HPGD P15428 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
SCHEMBL15089403 0.95 HTT (0.43) HTTHSD17B10MAPTGAAMAPK1
SCHEMBL15088853 0.95 HTT (0.44) HTTHSD17B10MAPTGAAMAPK1
SCHEMBL15089319 0.94 HTT (0.44) HTTHSD17B10MAPTGAAMAPK1
SCHEMBL15089376 0.92 MAPT (0.39) HTTHSD17B10MAPTGAAMAPK1
SCHEMBL15089375 0.92 HTT (0.42) HTTHSD17B10MAPTGAAMAPK1
SCHEMBL15089288 0.92 HTT (0.41) HTTHSD17B10MAPTGAAMAPK1
SCHEMBL15089323 0.91 HTT (0.44) HTTHSD17B10MAPTGAAMAPK1
SCHEMBL15088942 0.91 HTT (0.39) HTTHSD17B10MAPTGAAMAPK1
SCHEMBL15089281 0.90 MAPT (0.39) HTTHSD17B10MAPTGAAMAPK1
SCHEMBL15089344 0.89 PDE6D (0.42) HTTHSD17B10MAPTGAAMAPK1

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