SCHEMBL4027643

SCHEMBL4027643

Cc1cc(N)c(Cl)c(O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.48
ALOX15 P16050 4/20 0.48
HSD17B10 Q99714 4/20 0.48
GAA P10253 3/20 0.48
MAPT P10636 3/20 0.48
KDM4E B2RXH2 2/20 0.48
LMNA P02545 1/20 0.48
SELL P14151 1/20 0.46
SELP P16109 1/20 0.46
SELE P16581 1/20 0.46
ACHE P22303 1/20 0.46
ACLY P53396 3/20 0.42
HPGD P15428 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALOX12 P18054 1/20 0.38
MAPK1 P28482 1/20 0.38
TSHR P16473 3/20 0.38
CYP3A4 P08684 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL3303530 0.82 ALDH1A1 (0.47) ALDH1A1ALOX15HSD17B10GAAMAPT
SCHEMBL11038722 0.82 SELL (0.58) ALDH1A1ALOX15HSD17B10GAAMAPT
SCHEMBL30433819 0.75 CYP3A4 (0.52) ALDH1A1ALOX15HSD17B10GAAMAPT
SCHEMBL5835200 0.75 ACHE (0.65) ALDH1A1ALOX15HSD17B10GAAMAPT
SCHEMBL3719666 0.75 CYP3A4 (0.52) ALDH1A1ALOX15HSD17B10GAAMAPT
SCHEMBL19225420 0.75 ALDH1A1 (0.65) ALDH1A1ALOX15HSD17B10GAAMAPT
SCHEMBL7724614 0.75 HPGD (0.56) ALDH1A1ALOX15HSD17B10GAAMAPT
SCHEMBL9769289 0.75 ALDH1A1 (0.56) ALDH1A1ALOX15HSD17B10GAAMAPT
SCHEMBL22922896 0.75 ALDH1A1 (0.52) ALDH1A1ALOX15GAAMAPTKDM4E
SCHEMBL2669824 0.75 CD44 (0.44) ALDH1A1ALOX15HSD17B10GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2032524-A1 COUPLING COMPOUNDS AND HAIR DYEING COMPOSITIONS CONTAINING THEM DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 2009-03-11 EP disclosed
EP-2015848-A1 2, 3, 4, 6-SUBSTITUTED PYRIDINES AND THEIR USE AS HAIR DYEING COMPOSITIONS DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 2009-01-21 EP disclosed
EP-2010482-A1 COUPLING COMPOUNDS AND HAIR DYEING COMPOSITIONS CONTAINING THEM DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 2009-01-07 EP disclosed
WO-2008047210-A2 COMPOUNDS DERIVED FROM 1 -ETHYL-4,5-DIAMINO-PYRAZOLE AND THEIR USE FOR OXIDATIVE DYEING OF KERATIN FIBRES KEMON S.P.A. (IT) 2008-04-24 WO disclosed
WO-2007122197-A1 2, 3, 4, 6-SUBSTITUTED PYRIDINES AND THEIR USE AS HAIR DYEING COMPOSITIONS DYSTAR TEXTILFARBEN GMBH & CO DEUTSCHLAND KG (DE) 2007-11-01 WO disclosed
WO-2007118817-A1 COUPLING COMPOUNDS AND HAIR DYEING COMPOSITIONS CONTAINING THEM DYSTAR TEXTILFARBEN GMBH & CO DEUTSCHLAND KG (DE) 2007-10-25 WO disclosed
WO-2007118818-A1 COUPLING COMPOUNDS AND HAIR DYEING COMPOSITIONS CONTAINING THEM DYSTAR TEXTILFARBEN GMBH & CO DEUTSCHLAND KG (DE) 2007-10-25 WO disclosed
EP-0470099-A1 HAIR COLORANTS. HENKEL KGAA (DE) 1992-02-12 EP disclosed