SCHEMBL2929425

SCHEMBL2929425

O=[N+]([O-])c1c(Br)nn(CCCCS(=O)(=O)O)c1N1CCCC1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
ALDH1A1 P00352 3/20 0.31
RAB9A P51151 1/20 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
SCHEMBL2928781 0.76 HTT (0.33)
SCHEMBL2923471 0.74 SMN1; SMN2 (0.35) ALDH1A1
SCHEMBL2923168 0.70 HTT (0.42) MAPTLMNAMAPK1ALDH1A1
SCHEMBL6068973 0.66 ALDH1A1 (0.30) MAPTALDH1A1
SCHEMBL6758738 0.65 PKM (0.33) L3MBTL1ALDH1A1
SCHEMBL18155967 0.60 HRH3 (0.52) MAPTL3MBTL1MAPK1ALDH1A1
SCHEMBL1076637 0.59 ALDH1A1 (0.37) MAPTNPSR1LMNAMAPK1ALDH1A1
SCHEMBL929713 0.59 HRH3 (0.56) MAPTL3MBTL1MAPK1ALDH1A1
SCHEMBL11803303 0.58 HRH3 (0.60) MAPTL3MBTL1MAPK1ALDH1A1
SCHEMBL4022292 0.58 HRH3 (0.60) MAPTL3MBTL1MAPK1ALDH1A1

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-1733713-B1 Composition for dyeing keratinic fibres comprising a diamino-N,N-dihydro-pyrazolone dervative, a coupling agent and a selected surface-active agent OREAL (FR) 2010-06-02 EP disclosed
EP-1733716-B1 Composition for dyeing keratin fibres comprising a diamino-N,N-dihydro-pyrazolone derivative, a coupling agent and an associative polyurethane polymer OREAL (FR) 2010-05-19 EP disclosed
EP-1733714-B1 Composition for dyeing keratinic fibres comprising a diamino-N,N-dihydro-pyrazolone derivative, a coupling agent and a polyol OREAL (FR) 2010-05-19 EP disclosed
EP-1733715-B1 Composition for dyeing keratinic fibres comprising a diamino-N,N-dihydro-pyrazolone derivative, a coupling agent and a heterocyclic direct dye OREAL (FR) 2010-01-27 EP disclosed
EP-1728500-B1 Composition for dyeing keratinic fibres comprising a diamino-N,N-dihydro-pyrazolon derivative and a cationic oxidation dye OREAL (FR) 2010-01-27 EP disclosed
EP-1728499-B1 Composition for dyeing keratinic fibres comprising a diamino-N,N-dihydro-pyrazolone derivative and a 2,3-diaminopyridine coupler OREAL (FR) 2010-01-06 EP disclosed
EP-1550656-B1 fused 4-5-diamino-n,n-dihydro-pyrazol-3-one derivatives for use in composition for dyeing keratin fibres OREAL (FR) 2009-05-06 EP disclosed
EP-1764082-A2 4-5-diamino-N,N-dihydro-pyrazol-3-one derivatives for use in composition for dyeing keratin fibres L'OREAL (FR) 2007-03-21 EP disclosed
EP-1733713-A1 Composition for dyeing keratinic fibres comprising a diamino-N,N-dihydro-pyrazolone dervative, a coupling agent and a selected surface-active agent L'OREAL (FR) 2006-12-20 EP disclosed
EP-1733714-A1 Composition for dyeing keratinic fibres comprising a diamino-N,N-dihydro-pyrazolone derivative, a coupling agent and a polyol L'OREAL (FR) 2006-12-20 EP disclosed
EP-1733716-A1 Composition for dyeing keratin fibres comprising a diamino-N,N-dihydro-pyrazolone derivative, a coupling agent and an associative polyurethane polymer L'OREAL (FR) 2006-12-20 EP disclosed
EP-1733715-A1 Composition for dyeing keratinic fibres comprising a diamino-N,N-dihydro-pyrazolone derivative, a coupling agent and a heterocyclic direct dye L'OREAL (FR) 2006-12-20 EP disclosed
EP-1728499-A1 Composition for dyeing keratinic fibres comprising a diamino-N,N-dihydro-pyrazolone derivative and a 2,3-diaminopyridine coupler L'OREAL (FR) 2006-12-06 EP disclosed
EP-1728500-A1 Composition for dyeing keratinic fibres comprising a diamino-N,N-dihydro-pyrazolon derivative and a cationic oxidation dye L'OREAL (FR) 2006-12-06 EP disclosed
EP-1550656-A1 4-5-diamino-n,n-dihydro-pyrazol-3-one derivatives for use in composition for dyeing keratin fibres L'OREAL (FR) 2005-07-06 EP disclosed