SCHEMBL14645642

SCHEMBL14645642

CCCCC(CC)COc1ccc(N(c2ccc(OCC(CC)CCCC)cc2)c2ccc(-c3ccc4c(c3)C(=O)c3cc(-c5ccc(C=O)cc5)ccc3-4)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.37
MAPT P10636 4/20 0.37
KMT2A Q03164 3/20 0.37
CHRNA7 P36544 1/20 0.37
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
LMNA P02545 2/20 0.35
CYP3A4 P08684 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
APP P05067 2/20 0.33
AHR P35869 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
SCHEMBL14645393 0.87 MAPT (0.39) TDP1MAPTKMT2ACHRNA7ALDH1A1
SCHEMBL14646038 0.86 APP (0.39) TDP1MAPTKMT2ACHRNA7ALDH1A1
SCHEMBL4263078 0.86 TDP1 (0.46) TDP1MAPTALDH1A1L3MBTL1LMNA
SCHEMBL15602808 0.86 TDP1 (0.46) TDP1MAPTALDH1A1L3MBTL1LMNA
SCHEMBL14645342 0.84 SLC16A3 (0.37)
SCHEMBL14645343 0.84 SLC16A3 (0.37)
SCHEMBL1242493 0.82 TDP1 (0.43) TDP1MAPTKMT2AALDH1A1MEN1
SCHEMBL13322004 0.81 TDP1 (0.42) TDP1MAPTALDH1A1L3MBTL1LMNA
SCHEMBL3819051 0.80 TDP1 (0.51) TDP1MAPTALDH1A1L3MBTL1LMNA
SCHEMBL2029556 0.80 TDP1 (0.47) TDP1MAPTALDH1A1LMNACYP3A4

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