SCHEMBL5555804

SCHEMBL5555804

CCNc1ccc(C)c2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 10/20 0.63
CYP1A2 P05177 2/20 0.54
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
RECQL P46063 1/20 0.46
CYP2A6 P11509 2/20 0.42
CHEK1 O14757 1/20 0.40
PIM1 P11309 1/20 0.40
LTK P29376 1/20 0.40
LIMK1 P53667 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
HTR1A P08908 1/20 0.37
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
ALDH1A1 P00352 1/20 0.37
SLC40A1 Q9NP59 1/20 0.36
AR P10275 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
Hydrochloric Acid SCHEMBL27656700 0.98 IDO1 (0.61) IDO1CYP1A2CYP3A4TSHRRECQL
Hydrochloric Acid SCHEMBL6141811 0.98 IDO1 (0.61) IDO1CYP1A2CYP3A4TSHRRECQL
SCHEMBL20099158 0.80 IDO1 (0.50) IDO1CYP1A2CYP3A4TSHRRECQL
SCHEMBL19849964 0.78 CYP1A2 (0.65) IDO1CYP1A2TSHRRECQLCYP2A6
SCHEMBL12599061 0.78 IDO1 (1.00) IDO1CHEK1PIM1LTKLIMK1
SCHEMBL8294251 0.78 IDO1 (0.61) IDO1CHEK1PIM1LTKLIMK1
SCHEMBL3082361 0.78 IDO1 (0.61) IDO1TSHRRECQLCHEK1PIM1
SCHEMBL8962097 0.78 IDO1 (0.61) IDO1CHEK1PIM1LTKLIMK1
SCHEMBL27365177 0.77 CYP1A2 (0.46) IDO1CYP1A2TSHRCYP2A6CHEK1
SCHEMBL18949757 0.76 NCF1 (0.54) IDO1CYP1A2CHEK1PIM1LTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103189042-B Process for producing a colorant for keratin fibres 汉高股份有限及两合公司 2017-04-26 CN disclosed
CN-102448549-B Hair conditioning composition comprising a cationic surfactant system and a direct dye PROCTER & GAMBLE 2014-11-12 CN disclosed
CN-103002952-A Hair conditioning composition comprising a cationic surfactant system, a direct dye and a nonionic thickener PROCTER & GAMBLE 2013-03-27 CN disclosed
CN-101001600-B Multicomponent kit and method for dyeing keratin fibers WELLA AG 2013-01-02 CN disclosed
CN-102448549-A Hair conditioning composition comprising a cationic surfactant system and a direct dye PROCTER & GAMBLE 2012-05-09 CN disclosed
CN-1984778-B Method for making negative-working heat-sensitive lithographic printing plate precursor AGFA GEVAERT 2010-12-29 CN disclosed
CN-101678216-A Hair conditioning composition comprising amine-type cationic surfactant and direct dye PROCTER & GAMBLE 2010-03-24 CN disclosed
CN-101076571-A Cationic azoazine dyes and colorants containing said compounds PROCTER & GAMBLE (US) 2007-11-21 CN disclosed
CN-101001921-A Cationic pyrazolone dyes method for production thereof and colouring agents for keratin fibres containing said compounds WELLA AG (DE) 2007-07-18 CN disclosed
EP-1803034-A2 HOLOGRAPHIC STORAGE MEDIUM General Electric Company (US) 2007-07-04 EP disclosed
CN-1984778-A Method for making negative-working heat-sensitive lithographic printing plate precursor AGFA GEVAERT (BE) 2007-06-20 CN disclosed
CN-1968936-A Cationic dyes and dyeing agents for keratin fibres containing said compounds WELLA AG (DE) 2007-05-23 CN disclosed
WO-2006044243-A2 HOLOGRAPHIC STORAGE MEDIUM GENERAL ELECTRIC COMPANY A CORPORATION OF THE STATE OF NEW YORK (US) 2006-04-27 WO disclosed
CN-1232509-C Diaminopyrazole derivatives and dyes containing these compounds P & G KRYROER CO (US) 2005-12-21 CN disclosed
CN-1441786-A Novel diamino pyrazole derivatives and dyes containing said compounds WELLA AG (DE) 2003-09-10 CN disclosed
US-4315068-A CONTAINING A COBALT-AMMINE COMPLEX AND A DIOXIME OR A BISIMIDAZOLIN-3-ONE CHELATING AGENT; STABILITY; COLOR DILMS RICOH CO., LTD. (JP) 1982-02-09 US disclosed