SCHEMBL10478403

SCHEMBL10478403

CCN(CC)c1ccc(C(c2ccc(N(CC)CC)cc2C)c2c3ccccc3cc3ccccc23)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
GAA P10253 2/20 0.43
PKM P14618 1/20 0.43
HTT P42858 1/20 0.43
MCL1 Q07820 1/20 0.43
S100B P04271 1/20 0.43
TERT O14746 1/20 0.41
MAPK1 P28482 2/20 0.38
HCRTR1 O43613 1/20 0.38
NPC1 O15118 5/20 0.37
RAB9A P51151 4/20 0.37
RPS6KA2 Q15349 1/20 0.36
ALDH1A1 P00352 4/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
HIF1A Q16665 2/20 0.36
CYP3A4 P08684 2/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
IGLV6-57 P01721 1/20 0.36
GLA P06280 1/20 0.36

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
SCHEMBL5665167 0.83 MAPT (0.49) MAPTGAAPKMHTTMCL1
SCHEMBL11099960 0.81 MAPT (0.34) MAPTGAAPKMHTTMCL1
SCHEMBL81551 0.80 S100B (0.58) MAPTGAAPKMHTTMCL1
Hydrochloric Acid SCHEMBL237984 0.78 S100B (0.56) MAPTGAAPKMHTTMCL1
SCHEMBL7952524 0.78 S100B (0.49) MAPTGAAPKMHTTMCL1
SCHEMBL133593 0.78 S100B (0.49) MAPTGAAPKMHTTMCL1
SCHEMBL10478174 0.78 MAPT (0.43) MAPTGAAPKMHTTMCL1
SCHEMBL5670988 0.78 MAPT (0.46) MAPTGAAPKMHTTMCL1
SCHEMBL6249122 0.77 MAPT (0.54) MAPTGAAPKMHTTMCL1
SCHEMBL5666758 0.77 CYP19A1 (0.42) MAPTGAAPKMHTTMCL1

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
US-4818660-A POLYMERIC BINDER AND UNSATURATED COMPOUND, PHOTOINITIATOR, BAS IC DYE, LEUCO DYE AND STRONG ACID E. I. DU PONT DE NEMOURS AND COMPANY (US) 1989-04-04 US disclosed