SCHEMBL126959

SCHEMBL126959

Nc1cnn2c(NCCO)ccnc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD3 Q9NY59 1/20 0.35
NUDT1 P36639 1/20 0.34
CDK1 P06493 1/20 0.33
NPC1 O15118 4/20 0.32
MAPT P10636 4/20 0.32
RAB9A P51151 4/20 0.32
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
MEN1 O00255 1/20 0.32
TP53 P04637 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
CTNNB1 P35222 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
POLB P06746 2/20 0.32
CLK4 Q9HAZ1 2/20 0.32
JAK2 O60674 1/20 0.32
ROCK2 O75116 1/20 0.32

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
SCHEMBL7809356 0.86 SMPD3 (0.37) SMPD3FLT3
SCHEMBL7456528 0.82 HRH3 (0.46) NPC1MAPTRAB9AKDM4EALDH1A1
SCHEMBL2849820 0.78 SMPD3 (0.34) SMPD3
SCHEMBL7595938 0.76 TERT (0.38)
SCHEMBL3946877 0.74 KMT2A (0.50) NPC1MAPTRAB9AKDM4EALDH1A1
SCHEMBL457580 0.74 GPR119 (0.33) SMPD3
SCHEMBL125285 0.73 NUDT1 (0.37) NUDT1CDK1MAPTKDM4EALDH1A1
SCHEMBL3224680 0.73 SMPD3 (0.35) SMPD3NPC1MAPTRAB9AKDM4E
Hydrochloric Acid SCHEMBL8150702 0.73 KMT2A (0.49) NPC1MAPTRAB9AKDM4EALDH1A1
SCHEMBL5690062 0.73 KCNQ3 (0.36) SMPD3

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

Appears in 2293 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1443890-B1 OXIDATION COLOURING AGENT BASED ON BICYCLIC DEVELOPER COMPONENTS HENKEL AG & CO KGAA (DE) 2010-01-13 EP claimed
EP-1319393-B1 Composition for dyeing keratin fibres with an alcohol oxidase and process for applying this composition OREAL (FR) 2009-09-02 EP claimed
EP-1352636-B1 Oxidation dyeing composition for keratin fibers comprising 2-chloro-6-methyl-3-aminophenol and an oxidation base, and dyeing method OREAL (FR) 2009-04-22 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-7282067-B2 Composition for dyeing keratin fibres, containing an alcohol oxidase, and process using this composition L'OREAL (FR) 2007-10-16 US claimed
WO-2007071686-A1 COMPOSITION FOR DYEING KERATIN FIBRES WITH A TETRAAZAPENTAMETHINE CATIONIC DIRECT DYE, AN OXIDATION BASE AND A PARTICULAR COUPLER L'ORÉAL (FR) 2007-06-28 WO claimed
WO-2007071688-A1 COMPOSITION FOR DYEING KERATIN FIBRES WITH A TETRAAZAPENTAMETHINE CATIONIC DIRECT DYE, A PARTICULAR OXIDATION BASE AND A COUPLER L'ORÉAL (FR) 2007-06-28 WO 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-1210931-B1 Keratinic fibres dyeing composition OREAL (FR) 2006-04-05 EP claimed
WO-1999066892-A1 OXIDATION DYEING COMPOSITION FOR KERATINOUS FIBRES AND DYEING METHOD USING SAME L'OREAL (FR) 1999-12-29 WO claimed
WO-1999066894-A1 DYEING COMPOSITION CONTAINING A PYRAZOLO-[1,5-a]-PYRIMIDINE AS OXIDATION BASE AND A PYRIDINE COUPLING AGENT, AND DYEING METHOD L'OREAL (FR) 1999-12-29 WO claimed
WO-1999066893-A1 DYEING COMPOSITION CONTAINING A PYRAZOLO-[1,5-a]-PYRIMIDINE AS OXIDATION BASE AND A NAPHTHALENE COUPLING AGENT, AND DYEING METHOD L'OREAL (FR) 1999-12-29 WO claimed
EP-0966951-A1 Dye composition containing 1,8-bis-(2,5-diaminophenoxy)-3,5-dioxaoctane, an additional oxidation base and a coupler, and dyeing process L'OREAL (FR) 1999-12-29 EP claimed
EP-0966252-A1 OXIDATION DYEING COMPOSITION FOR KERATIN FIBRES COMPRISING 2-CHLORO 6 METHYL 3-AMINOPHENOL AND AN OXIDATION BASE, AND DYEING METHOD L'OREAL (FR) 1999-12-29 EP claimed
WO-1999036039-A1 KERATINOUS FIBRE OXIDATION DYEING COMPOSITION CONTAINING A LACCASE AND DYEING METHOD USING SAME L'OREAL (FR) 1999-07-22 WO claimed
WO-1999011230-A1 OXIDATION DYEING COMPOSITION FOR KERATIN FIBRES COMPRISING 2-CHLORO 6 METHYL 3-AMINOPHENOL AND AN OXIDATION BASE, AND DYEING METHOD L'OREAL (FR) 1999-03-11 WO claimed
WO-1998055083-A1 KERATIN FIBRE OXIDATION DYEING COMPOSITION AND DYEING METHOD USING SAME L'OREAL (FR) 1998-12-10 WO claimed
EP-0847271-A1 PYRAZOLO-(1,5-a)-PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND HAIR DYES CONTAINING THESE L'OREAL (FR) 1998-06-17 EP claimed
WO-1997049378-A1 PYRAZOLO-(1,5-a)-PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND HAIR DYES CONTAINING THESE L'OREAL (FR) 1997-12-31 WO claimed