SCHEMBL124591

SCHEMBL124591

Cc1ccc(NCCCCNc2ccc(C)cc2N)c(N)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.71
PRSS1 P07477 9/20 0.54
KAT2B Q92831 2/20 0.47
TDP1 Q9NUW8 2/20 0.46
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
THRB P10828 1/20 0.46
ALOX15 P16050 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HTR1A P08908 2/20 0.46
ADRA1D P25100 2/20 0.46
ADRA1A P35348 2/20 0.46
ADRA1B P35368 2/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
HSD17B10 Q99714 1/20 0.46
PTGER4 P35408 1/20 0.44
SLC6A4 P31645 1/20 0.44

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
SCHEMBL5806008 0.93 HDAC6 (0.63) HDAC6PRSS1KAT2BHTR1AADRA1D
SCHEMBL14906563 0.93 HDAC6 (0.63) HDAC6PRSS1KAT2BHTR1AADRA1D
SCHEMBL6253238 0.91 HDAC6 (0.61) HDAC6PRSS1KAT2BHTR1AADRA1D
SCHEMBL21016436 0.91 HDAC6 (0.61) HDAC6PRSS1KAT2BHTR1AADRA1D
SCHEMBL7137884 0.91 HDAC6 (0.65) HDAC6PRSS1KAT2BTDP1TP53
Hydrochloric Acid SCHEMBL4864775 0.90 HDAC6 (0.60) HDAC6PRSS1KAT2BHTR1AADRA1D
SCHEMBL30516497 0.89 HDAC6 (0.63) HDAC6PRSS1KAT2BTDP1TP53
SCHEMBL6248663 0.89 HDAC6 (0.63) HDAC6PRSS1KAT2BTDP1TP53
Hydrochloric Acid SCHEMBL4862759 0.88 HDAC6 (0.61) HDAC6PRSS1KAT2BTDP1TP53
SCHEMBL3637289 0.86 HDAC6 (0.59) HDAC6PRSS1KAT2BTDP1TP53

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 868 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0850636-B2 Composition for the oxidative dyeing of keratinic fibres and dyeing process using this composition OREAL (FR) 2013-11-20 EP claimed
EP-1473025-B1 Dyeing composition containing 2-chloro-6-methyl-3-aminophenol and an associative polymer OREAL (FR) 2012-03-28 EP claimed
EP-1086684-B1 Composition for oxidative dyeing of keratinous fibres and dyeing process using the same OREAL (FR) 2010-04-14 EP claimed
EP-1047376-B2 KERATINOUS FIBRE DYEING COMPOSITION CONTAINING A LACCASE AND DYEING METHOD USING SAME OREAL (FR) 2009-03-18 EP claimed
EP-1129689-B1 Keratinous fiber dyeing composition comprising N-(2-hydroxybenzene)-carbamate or N-(2-hydroxybenzene)urea derivatives as coupling agents and process for dyeing OREAL (FR) 2008-07-09 EP claimed
EP-1405627-B1 Antipenetrating hair pretreatment composition based on polyethelenoxide polymer(s) and process using said composition for limiting skin penetration by colourants OREAL (FR) 2008-04-30 EP claimed
US-7189267-B2 Oxyethylenated based hair pre-treatment anti-penetration composition and method using such a composition for limiting the penetration of dyes into the skin L'OREAL (FR) 2007-03-13 US claimed
US-7077871-B2 Coloring composition for keratin fibres comprising a system limiting the transcutaneous passage of an oxidation dye L'OREAL (FR) 2006-07-18 US claimed
EP-1410788-B1 Oxidation dyeing composition for keratinous fibres comprising 2-chloro 6 methyl 3-aminophenol, an oxidation base and an additional coupler, and dyeing method OREAL (FR) 2006-05-10 EP claimed
EP-1210931-B1 Keratinic fibres dyeing composition OREAL (FR) 2006-04-05 EP claimed
WO-1999017730-A1 OXIDATION DYEING COMPOSITION FOR KERATIN FIBRES AND DYEING METHOD USING SAID COMPOSITION L'OREAL (FR) 1999-04-15 WO claimed
WO-1999017731-A1 OXIDATION DYEING COMPOSITION FOR KERATIN FIBRES AND DYEING METHOD USING SAID COMPOSITION L'OREAL (FR) 1999-04-15 WO claimed
WO-1999015139-A1 OXIDATION DYEING COMPOSITION FOR KERATIN FIBRES L'OREAL (FR) 1999-04-01 WO claimed
WO-1999015140-A1 OXIDATION DYEING COMPOSITION FOR KERATIN FIBRES L'OREAL (FR) 1999-04-01 WO claimed
WO-1999015138-A1 OXIDATION DYEING COMPOSITION FOR KERATIN FIBRES L'OREAL (FR) 1999-04-01 WO claimed
WO-1999011228-A1 OXIDATION DYEING COMPOSITION FOR KERATIN FIBRES COMPRISING 2-CHLORO 6 METHYL 3-AMINOPHENOL, AN OXIDATION BASE AND AN ADDITIONAL COUPLER, AND DYEING METHOD L'OREAL (FR) 1999-03-11 WO claimed
EP-0850636-A1 Composition for the oxidative dyeing of keratinic fibres and dyeing process using this composition L'OREAL (FR) 1998-07-01 EP claimed
US-5769903-A Composition for the oxidation dyeing of keratin fibers, comprising an oxidation base, an indole coupler and an additional heterocyclic coupler, and dyeing process L'OREAL (FR) 1998-06-23 US claimed
EP-0428441-B1 Keratinic fibre dyeing compostions containing oxydation dye precursors and derivatives of 4-hydroxyindole as couplers, and dyeing process using same OREAL (FR) 1994-08-24 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 claimed