SCHEMBL125976

SCHEMBL125976

Nc1cnn2c(N)ccnc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD3 Q9NY59 3/20 0.50
KDM4E B2RXH2 7/20 0.35
HTT P42858 1/20 0.35
CLK4 Q9HAZ1 2/20 0.34
MAP2K1 Q02750 1/20 0.34
DYRK1B Q9Y463 1/20 0.34
NPC1 O15118 7/20 0.33
RAB9A P51151 7/20 0.33
MAPT P10636 6/20 0.33
ALDH1A1 P00352 5/20 0.33
SMN1; SMN2 Q16637 5/20 0.33
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
HPGD P15428 3/20 0.33
CHEK1 O14757 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CCNA1 P78396 1/20 0.33
TP53 P04637 1/20 0.33
ALOX15 P16050 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
Hydrochloric Acid SCHEMBL6805756 0.98 SMPD3 (0.48) SMPD3KDM4EHTTCLK4MAP2K1
SCHEMBL30579310 0.80 SMPD3 (0.35) SMPD3KDM4EHTTCLK4MAP2K1
SCHEMBL127121 0.80 SMPD3 (0.43) SMPD3KDM4EHTTCLK4MAP2K1
SCHEMBL32686016 0.80 KDM4E (0.56) SMPD3KDM4EHTTCLK4MAP2K1
SCHEMBL7455976 0.80 SMPD3 (0.43) SMPD3KDM4EHTTCLK4MAP2K1
Hydrochloric Acid SCHEMBL462160 0.79 SMPD3 (0.42) SMPD3KDM4EHTTCLK4MAP2K1
SCHEMBL7453201 0.77 SMPD3 (0.41) SMPD3KDM4EHTTCLK4MAP2K1
SCHEMBL25495619 0.76 KDM4E (0.34) SMPD3KDM4EHTTCLK4MAP2K1
SCHEMBL1369575 0.76 KDM4E (0.34) SMPD3KDM4EHTTCLK4MAP2K1
SCHEMBL30579376 0.76 CYP17A1 (0.38) SMPD3KDM4EHTTCLK4MAP2K1

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 2395 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-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-1413286-B1 Dyeing composition comprising at least one heterocyclic oxidation base and at least one substituted 2,3-diaminopyridine as a coupling agent 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
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
EP-1621185-A1 Hair dyeing composition comprising an elastomeric film-forming polymer and an oxidation dye precursor L'OREAL (FR) 2006-02-01 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
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
WO-1999066891-A1 OXIDATION DYEING COMPOSITION FOR KERATINOUS FIBRES AND DYEING METHOD USING SAME L'OREAL (FR) 1999-12-29 WO claimed
WO-1999066892-A1 OXIDATION DYEING COMPOSITION FOR KERATINOUS FIBRES AND DYEING METHOD USING SAME L'OREAL (FR) 1999-12-29 WO claimed
WO-1999048465-A1 OXIDATION DYEING COMPOSITION FOR KERATINOUS FIBRES CONTAINING A 3-AMINOPYRIDINE AZO DERIVATIVE AND DYEING METHOD USING SAID COMPOSITION L'OREAL (FR) 1999-09-30 WO 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