SCHEMBL453846

SCHEMBL453846

Cc1ccc(OCN)cc1OCN

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGXT P21549 2/20 0.48
GAA P10253 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
KMT2A Q03164 1/20 0.37
TSHR P16473 1/20 0.36
PDIA6 Q15084 1/20 0.36
RAB9A P51151 1/20 0.36
ALOX15 P16050 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
CYP2C9 P11712 1/20 0.34
CARM1 Q86X55 1/20 0.34
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
HTR2A P28223 1/20 0.33
SLC6A4 P31645 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
SCHEMBL2902182 0.84 AGXT (0.37) AGXTGAATDP1SMN1; SMN2KMT2A
SCHEMBL14605587 0.81 TSHR (0.53) GAATDP1SMN1; SMN2TSHRRAB9A
SCHEMBL454009 0.80 KDM4E (0.45) SMN1; SMN2TSHRPDIA6CARM1KDM4E
SCHEMBL16486711 0.78 AGXT (0.47) AGXTSMN1; SMN2KMT2ATSHRPDIA6
SCHEMBL7692656 0.77 NQO1 (0.54) TDP1KMT2ATSHRALOX15ALDH1A1
SCHEMBL10458232 0.76 TSHR (0.45) TDP1SMN1; SMN2KMT2ATSHRPDIA6
SCHEMBL9901812 0.73 GAA (0.41) GAATDP1SMN1; SMN2TSHRHPGD
SCHEMBL10717739 0.73 TSHR (0.46) GAAKMT2ATSHRRAB9AALDH1A1
SCHEMBL25526174 0.73 PTGS1 (0.46) GAAKMT2ATSHRALDH1A1HPGD
SCHEMBL1710102 0.72 INPPL1 (0.43) GAATDP1TSHRPDIA6HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2613760-A2 COMPOSITIONS FOR DYEING KERATIN FIBERS Segetis, Inc. (US) 2013-07-17 EP disclosed
WO-2012033813-A2 COMPOSITIONS FOR DYEING KERATIN FIBERS SEGETIS, INC. (US) 2012-03-15 WO disclosed
WO-2008102310-A1 DYES FOR KERATINIC FIBERS COMPRISING A SPECIAL ANIONIC THICKENER THE PROCTER & GAMBLE COMPANY (US) 2008-08-28 WO disclosed
EP-1919440-A2 AGENT FOR SIMULTANEOUS LIGHTENING AND COLORING OF KERATIN FIBRES CONTAINING A SULFAMATE BLEACH BOOSTER The Procter and Gamble Company (US) 2008-05-14 EP disclosed
EP-1888023-A1 COLORANTS FOR KERATIN FIBERS Wella Aktiengesellschaft (DE) 2008-02-20 EP disclosed
WO-2007119228-A2 AGENTS FOR COLOURING KERATIN FIBRES COMPRISING ZWITTERIONIC AZOMETHINE DYES THE PROCTER & GAMBLE COMPANY (US) 2007-10-25 WO disclosed
EP-1841507-A1 AGENTS FOR COLORING KERATIN FIBERS Wella Aktiengesellschaft (DE) 2007-10-10 EP disclosed
WO-2007093943-A1 COLORING AGENTS FOR KERATIN FIBERS THE PROCTER & GAMBLE COMPANY (US) 2007-08-23 WO disclosed
WO-2007093954-A1 DYE-CONTAINING PELLETS AND THEIR USE THE PROCTER & GAMBLE COMPANY (US) 2007-08-23 WO disclosed
WO-2007086031-A1 COLORANTS FOR KERATIN FIBERS THE PROCTER & GAMBLE COMPANY (US) 2007-08-02 WO disclosed
WO-2007026328-A2 AGENT FOR SIMULTANEOUS LIGHTENING AND COLORING OF KERATIN FIBRES CONTAINING A SULFAMATE BLEACH BOOSTER THE PROCTER & GAMBLE COMPANY (US) 2007-03-08 WO disclosed
WO-2007020565-A1 OXIDIZING HAIR COLORING AGENTS CONTAINING M-AMINOPHENOL DERIVATIVES THE PROCTER & GAMBLE COMPANY (US) 2007-02-22 WO disclosed
WO-2006130373-A1 COLORANTS FOR KERATIN FIBERS THE PROCTER & GAMBLE COMPANY (US) 2006-12-07 WO disclosed
WO-2006081245-A1 AGENTS FOR COLORING KERATIN FIBERS THE PROCTER & GAMBLE COMPANY (US) 2006-08-03 WO disclosed
WO-2002067882-A1 HAIR COLORANT IN THE FORM OF A CREAMY PERMANENT MOUSSE OR A STABLE FOAMED CREME COLORANT WELLA AKTIENGESELLSCHAFT (DE) 2002-09-06 WO disclosed