SCHEMBL211655

SCHEMBL211655

Nc1cc(CCO)c(N)c(CCO)c1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.39
POLB P06746 2/20 0.39
TSHR P16473 1/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPT P10636 3/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
XBP1 P17861 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TLR9 Q9NR96 1/20 0.33
HSP90AA1 P07900 1/20 0.31
HNF4A P41235 1/20 0.31
GRIN2D O15399 2/20 0.31
GRIN3B O60391 2/20 0.31
GRIN1 Q05586 2/20 0.31
GRIN2A Q12879 2/20 0.31
GRIN2B Q13224 2/20 0.31

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
SCHEMBL8849833 0.86 SNCA (0.38) HTTPOLBTSHRALDH1A1HSP90AA1
SCHEMBL9229073 0.83 HTT (0.38) HTTPOLBTSHRALDH1A1MAPT
SCHEMBL11743511 0.81 POLB (0.34) HTTPOLBTSHRALDH1A1MAPT
SCHEMBL5175161 0.80 MAPT (0.40) POLBTSHRALDH1A1MAPTNPC1
SCHEMBL123882 0.79 GPR35 (0.39) HTTPOLBTSHRALDH1A1GAA
SCHEMBL4650014 0.79 TSHR (0.43) HTTPOLBTSHRALDH1A1MAPT
SCHEMBL6293659 0.77 TSHR (0.38) HTTPOLBTSHRALDH1A1MAPT
SCHEMBL198863 0.76 ALDH1A1 (0.44) HTTPOLBTSHRALDH1A1MAPT
SCHEMBL1933923 0.76 TSHR (0.47) POLBTSHRALDH1A1MAPTLMNA
SCHEMBL4238565 0.75 TSHR (0.37) TSHRALDH1A1SMN1; SMN2HSP90AA1HNF4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1757326-B1 Direct dying composition comprising insoluble oxygenated compounds and processes OREAL (FR) 2009-01-07 EP claimed
EP-1311231-B1 AGENT FOR COLOURING KERATIN-CONTAINING FIBRES COMPRISING AT LEAST ONE OXOCYCLOPENTENE DERIVATIVE HENKEL KGAA (DE) 2006-11-22 EP claimed
EP-1292271-B1 AGENT FOR DYEING FIBRES CONTAINING KERATIN HENKEL KGAA (DE) 2006-11-08 EP claimed
EP-1292268-B1 AGENT FOR DYEING KERATIN CONTAINING FIBERS HENKEL KGAA (DE) 2005-02-23 EP claimed
EP-1311231-A1 AGENT FOR COLOURING KERATIN-CONTAINING FIBRES COMPRISING AT LEAST ONE OXOCYCLOPENTENE DERIVATIVE Henkel Kommanditgesellschaft auf Aktien (DE) 2003-05-21 EP claimed
EP-1292268-A2 AGENT FOR DYEING KERATIN CONTAINING FIBERS Henkel Kommanditgesellschaft auf Aktien (DE) 2003-03-19 EP claimed
EP-1292271-A2 AGENT FOR DYEING FIBRES CONTAINING KERATIN Henkel Kommanditgesellschaft auf Aktien (DE) 2003-03-19 EP claimed
EP-1200050-A2 DYEING AGENT FOR KERATINOUS FIBRES Henkel Kommanditgesellschaft auf Aktien (DE) 2002-05-02 EP claimed
WO-2001097754-A2 AGENT FOR DYEING FIBRES CONTAINING KERATIN, CONTAINING AT LEAST ONE QUINOXALINE DERIVATIVE HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-12-27 WO claimed
WO-2001097762-A1 AGENT FOR COLOURING KERATIN-CONTAINING FIBRES COMPRISING AT LEAST ONE OXOCYCLOPENTENE DERIVATIVE HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-12-27 WO claimed
WO-2001097764-A2 AGENT FOR DYEING KERATIN CONTAINING FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-12-27 WO claimed
WO-2001089460-A2 COLORANT FOR FIBRES CONTAINING KERATIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-11-29 WO claimed
WO-2001089587-A2 AGENTS FOR DYEING FIBRES CONTAINING KERATIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-11-29 WO claimed
WO-2001047485-A1 AGENT FOR COLOURING FIBRES CONTAINING KERATIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-07-05 WO claimed
WO-2001010379-A2 DYEING AGENT FOR KERATINOUS FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-02-15 WO claimed
EP-0871424-A1 HAIR COLORANT AND APPLICATION MIXTURE FOR COLOURING HUMAN HAIR Hans Schwarzkopf GmbH & Co. KG (DE) 1998-10-21 EP claimed
WO-1997025017-A1 HAIR COLORANT AND APPLICATION MIXTURE FOR COLOURING HUMAN HAIR HANS SCHWARZKOPF GMBH & CO. KG (DE) 1997-07-17 WO claimed
CN-118302150-A Method for treating keratin materials or fibres for head gear articles 花王株式会社 2024-07-05 CN disclosed
WO-1998011863-A2 HAIR DYE WELLA AKTIENGESELLSCHAFT (DE) 1998-03-26 WO disclosed
EP-0578665-B1 HAIR COLOURANTS WITH DIRECT DYES HENKEL KGAA (DE) 1994-12-21 EP disclosed