SCHEMBL4461706

SCHEMBL4461706

Cc1c(CCO)cc([N+](=O)[O-])c(N)c1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
HTT P42858 1/20 0.42
ALDH1A1 P00352 5/20 0.38
TSHR P16473 3/20 0.38
CYP3A4 P08684 2/20 0.38
CYP1A2 P05177 1/20 0.38
RECQL P46063 1/20 0.38
KDM4E B2RXH2 2/20 0.37
LMNA P02545 1/20 0.37
GPR35 Q9HC97 1/20 0.37
MAPK1 P28482 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
G6PD P11413 1/20 0.36
PKM P14618 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
IMPDH2 P12268 1/20 0.35

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
SCHEMBL27653571 0.81 TDP1 (0.39) POLBHTTALDH1A1TSHRCYP3A4
SCHEMBL7865965 0.77 TSHR (0.45) POLBHTTALDH1A1TSHRCYP3A4
SCHEMBL9102939 0.77 ALOX15 (0.43) POLBHTTALDH1A1TSHRCYP3A4
Diethylamine SCHEMBL10937982 0.76 POLB (0.45) POLBHTTALDH1A1TSHRCYP3A4
SCHEMBL10577811 0.75 HTT (0.56) POLBHTTALDH1A1TSHRCYP3A4
SCHEMBL11565097 0.75 GPR35 (0.40) ALDH1A1TSHRCYP3A4KDM4EGPR35
SCHEMBL8992757 0.75 TSHR (0.42) POLBHTTALDH1A1TSHRCYP3A4
SCHEMBL13375180 0.74 POLB (0.46) POLBHTTALDH1A1TSHRCYP3A4
SCHEMBL28060643 0.74 ALDH1A1 (0.39) POLBHTTALDH1A1TSHRCYP3A4
SCHEMBL26116447 0.72 TSHR (0.39) ALDH1A1TSHRCYP3A4CYP1A2RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-1823708-A Composition for bleaching and simultaneously dyeing keratin fibers, comprising meta-substituted ortho-nitroaniline OREAL (FR) 2006-08-30 CN 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-1292271-A2 AGENT FOR DYEING FIBRES CONTAINING KERATIN Henkel Kommanditgesellschaft auf Aktien (DE) 2003-03-19 EP claimed
EP-1292268-A2 AGENT FOR DYEING KERATIN CONTAINING FIBERS 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-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-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-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
CN-119403534-A Method for treating keratin fibres comprising a pretreatment or post-treatment step 莱雅公司 2025-02-07 CN disclosed
CN-119403533-A Method for treating keratin fibres using a carnitine salt or a carnitine derivative 莱雅公司 2025-02-07 CN disclosed
WO-2001089587-A2 AGENTS FOR DYEING FIBRES CONTAINING KERATIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-11-29 WO disclosed
WO-2001047485-A1 AGENT FOR COLOURING FIBRES CONTAINING KERATIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-07-05 WO disclosed
WO-2001010379-A2 DYEING AGENT FOR KERATINOUS FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-02-15 WO disclosed