SCHEMBL455533

SCHEMBL455533

Cc1cc(F)c(N)cc1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
CASP1 P29466 1/20 0.43
PDE10A Q9Y233 1/20 0.43
ALDH1A1 P00352 5/20 0.42
MAPT P10636 3/20 0.42
KDM4E B2RXH2 2/20 0.42
ALOX15 P16050 2/20 0.42
HSD17B10 Q99714 2/20 0.42
CYP3A4 P08684 2/20 0.42
MAPK1 P28482 2/20 0.42
PKM P14618 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
G6PD P11413 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
ALOX12 P18054 1/20 0.42
CYP2C19 P33261 1/20 0.42
CCR6 P51684 1/20 0.42
HIF1A Q16665 1/20 0.42

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
SCHEMBL106395 0.91 TSHR (0.43) TSHRCASP1PDE10AALDH1A1MAPT
Sulfuric Acid SCHEMBL2984729 0.90 BRD4 (0.45) TSHRCASP1PDE10AALDH1A1MAPT
SCHEMBL6271261 0.87 CASP1 (0.68) TSHRCASP1PDE10AALDH1A1MAPT
SCHEMBL24452844 0.81 TSHR (0.46) TSHRCASP1PDE10AALDH1A1MAPT
SCHEMBL3873719 0.79 CYP3A4 (0.55) TSHRCASP1ALDH1A1MAPTKDM4E
SCHEMBL3077884 0.79 ALDH1A1 (0.50) TSHRCASP1PDE10AALDH1A1MAPT
SCHEMBL6461901 0.79 KDM4E (0.50) TSHRCASP1PDE10AALDH1A1MAPT
SCHEMBL29791306 0.79 CYP3A4 (0.55) TSHRCASP1ALDH1A1MAPTKDM4E
SCHEMBL457125 0.77 CYP3A4 (0.52) TSHRCASP1ALDH1A1MAPTKDM4E
SCHEMBL1479690 0.77 ALDH1A1 (0.40) TSHRCASP1ALDH1A1MAPTKDM4E

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 1574 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1778176-B1 COMPOSITION FOR COLOURING KERATIN-CONTAINING FIBRES HENKEL AG & CO KGAA (DE) 2012-07-25 EP claimed
JP-4785024-B2 2011-10-05 JP claimed
EP-1494995-B1 3-AMINOPHENOL DERIVATIVES SUBSTITUTED IN THE 2-POSITION, AND DYES CONTAINING THESE COMPOUNDS PROCTER & GAMBLE (US) 2010-09-22 EP claimed
US-RE41549-E1 Dyes for keratin fibers, the dyes containing n-benzyl-p-phenylenediamine derivatives and novel n-benzyl-p-phenylenediamine derivatives WELLA AG (DE) 2010-08-24 US claimed
US-7771734-B2 Process to color and permanently restructure hair WELLA AG (DE) 2010-08-10 US claimed
CN-100549003-C 3-aminophenol derivatives and keratin fibre colorants comprising these compounds P & G CLAIROL INC (US) 2009-10-14 CN claimed
EP-1670423-B1 DYE-CONTAINING PELLETS FOR DYEING KERATIN FIBRES WELLA AG (DE) 2008-10-08 EP claimed
EP-1655056-B1 Process to colour and permanently restructure hair WELLA AG (DE) 2008-07-02 EP claimed
EP-1432388-B1 AGENT FOR COLOURING FIBRES CONTAINING KERATIN HENKEL AG & CO KGAA (DE) 2008-06-18 EP claimed
EP-1601335-B1 MEANS AND METHOD FOR THE SIMULTANEOUS BLEACHING AND DYEING OF KERATIN FIBRES WELLA AG (DE) 2008-03-19 EP claimed
EP-0687669-A1 Hair dyeing compositions and new 2-alkylamino-4-amino-1-alkylbenzenes Wella Aktiengesellschaft (DE) 1995-12-20 EP claimed
US-5409503-A High color intensity red shades WELLA AKTIENGESELLSCHAFT (DE) 1995-04-25 US claimed
US-5380340-A Hair dye containing aminopyrazole derivatives as well as pyrazole derivatives WELLA AKTIENGESELLSCHAFT (DE) 1995-01-10 US claimed
EP-0562061-A1 HAIR-DYEING AGENT CONTAINING AMINOPYRAZOLE DERIVATIVES, AND NEW PYRAZOLE DERIVATIVES. WELLA AG (DE) 1993-09-29 EP claimed
WO-1993007849-A1 HAIR-DYEING AGENT CONTAINING AMINOPYRAZOLE DERIVATIVES, AND NEW PYRAZOLE DERIVATIVES WELLA AKTIENGESELLSCHAFT (DE) 1993-04-29 WO claimed
EP-0307777-B1 2-METHYL-4-FLUORO-PHENOLS AND PROCESS FOR THEIR PREPARATION BAYER AG (DE) 1993-01-07 EP claimed
EP-0485544-A1 OXIDATIVE HAIR DYE CONTAINING 3-AMINOPHENOL DERIVATIVES, PROCESS FOR OXIDATIVE DYEING OF HAIR AND NEW 3-AMINOPHENOL DERIVATIVES. WELLA AG (DE) 1992-05-20 EP claimed
WO-1991018583-A1 OXIDATIVE HAIR DYE CONTAINING 3-AMINOPHENOL DERIVATIVES, PROCESS FOR OXIDATIVE DYEING OF HAIR AND NEW 3-AMINOPHENOL DERIVATIVES WELLA AKTIENGESELLSCHAFT (DE) 1991-12-12 WO claimed
US-4885388-A CHEMICAL INTERMEDIATES FOR THE PREPARATION OF HERBICIDES AND PLANT GROWTH REGULATORS BAYER AKTIENGESELLSCHAFT (DE) 1989-12-05 US claimed
EP-0307777-A2 2-Methyl-4-fluoro-phenols and process for their preparation BAYER AG (DE) 1989-03-22 EP claimed