SCHEMBL14645393

SCHEMBL14645393

CCCCC(CC)COc1ccc(N(c2ccc(OCC(CC)CCCC)cc2)c2ccc(-c3ccc4c(c3)C(=O)c3cc(Br)ccc3-4)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPK1 P28482 2/20 0.35
KDM4E B2RXH2 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CHRNA7 P36544 1/20 0.35
PTPRC P08575 2/20 0.33
CYP1A2 P05177 1/20 0.33
S100A4 P26447 1/20 0.33
APP P05067 1/20 0.33
BCL2 P10415 1/20 0.33

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
SCHEMBL14645642 0.87 TDP1 (0.37) MAPTALDH1A1KMT2AMEN1NPC1
SCHEMBL14645349 0.85 MEN1 (0.32) MAPTALDH1A1KMT2AMEN1NPC1
SCHEMBL14645348 0.82
SCHEMBL14646038 0.82 APP (0.39) MAPTALDH1A1KMT2AMEN1NPC1
SCHEMBL13321986 0.81 TDP1 (0.50) MAPTALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL14645485 0.81 TDP1 (0.50) MAPTALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL14645343 0.79 SLC16A3 (0.37)
SCHEMBL14645342 0.79 SLC16A3 (0.37)
SCHEMBL12890182 0.78 APP (0.35) MAPTALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL918879 0.78 MAPT (0.54) MAPTALDH1A1KMT2AMEN1NPC1

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-2013008951-A1 ORGANIC DYE, DYE-SENSITIZED METAL OXIDE SEMICONDUCTOR ELECTRODE AND DYE-SENSITIZED SOLAR CELL NATIONAL INSTITUTE FOR MATERIALS SCIENCE (JP) 2013-01-17 WO disclosed