SCHEMBL9846429

SCHEMBL9846429

COc1cc(N)c(C)c(C)c1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.45
CYP3A4 P08684 3/20 0.45
NPC1 O15118 1/20 0.45
MAPT P10636 4/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GAA P10253 5/20 0.42
TDP1 Q9NUW8 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
POLB P06746 2/20 0.41
TSHR P16473 2/20 0.41
HSD17B10 Q99714 2/20 0.41
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
ADRA2B P18089 1/20 0.39
PTGS1 P23219 1/20 0.39
MEN1 O00255 1/20 0.39
THRB P10828 1/20 0.39
KMT2A Q03164 1/20 0.39
EP300 Q09472 1/20 0.38
GFER P55789 1/20 0.38

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
SCHEMBL28211075 0.86 ALDH1A1 (0.45) ALDH1A1CYP3A4NPC1MAPTNPSR1
SCHEMBL11307252 0.83 ALDH1A1 (0.46) ALDH1A1CYP3A4NPC1MAPTGAA
SCHEMBL10621551 0.82 ACHE (0.43) ALDH1A1CYP3A4NPC1MAPTNPSR1
SCHEMBL12209730 0.77 CYP3A4 (0.42) ALDH1A1CYP3A4NPC1MAPTGAA
SCHEMBL29217792 0.75 NPC1 (0.48) ALDH1A1CYP3A4NPC1MAPTNPSR1
SCHEMBL30594536 0.74 ACHE (0.44) ALDH1A1CYP3A4NPC1MAPTGAA
SCHEMBL8465680 0.74 ACHE (0.50) ALDH1A1CYP3A4NPC1MAPTGAA
SCHEMBL26113643 0.74 ACHE (0.44) ALDH1A1CYP3A4NPC1MAPTGAA
SCHEMBL926329 0.73 L3MBTL1 (0.67) ALDH1A1CYP3A4NPC1MAPTGAA
SCHEMBL29532421 0.73 NPC1 (0.56) ALDH1A1CYP3A4NPC1MAPTGAA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0428441-A2 Keratinic fibre dyeing compostions containing oxydation dye precursors and derivatives of 4-hydroxyindole as couplers, and dyeing process using same L'OREAL (FR) 1991-05-22 EP claimed
EP-0428442-A1 Composition comprising derivatives of 6- or 7-hydroxyindole as couplers and dyeing processes using same L'OREAL (FR) 1991-05-22 EP claimed
EP-0428441-A2 Keratinic fibre dyeing compostions containing oxydation dye precursors and derivatives of 4-hydroxyindole as couplers, and dyeing process using same L'OREAL (FR) 1991-05-22 EP disclosed
EP-0416962-A1 Keratinous fibers dyeing process with indole dyes and oxidation dye precursors and dyeing agents L'OREAL (FR) 1991-03-13 EP disclosed