SCHEMBL112129

SCHEMBL112129

O=[N+]([O-])c1cc(S(=O)(=O)c2ccc(Nc3ccc(Nc4ccccc4)c(S(=O)(=O)O)c3)c([N+](=O)[O-])c2)ccc1Nc1ccc(Nc2ccccc2)c(S(=O)(=O)O)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.62
MAPT P10636 4/20 0.62
POLB P06746 2/20 0.62
WNK1 Q9H4A3 1/20 0.58
HCAR3 P49019 1/20 0.53
L3MBTL1 Q9Y468 4/20 0.52
ALDH1A1 P00352 4/20 0.52
GAA P10253 2/20 0.52
KDM4E B2RXH2 1/20 0.52
NSD2 O96028 1/20 0.52
APEX1 P27695 1/20 0.52
APOBEC3A P31941 1/20 0.52
RECQL P46063 1/20 0.52
CASP6 P55212 1/20 0.52
APOBEC3G Q9HC16 1/20 0.52
NT5E P21589 1/20 0.52
ALDH3A1 P30838 8/20 0.50
MAPK1 P28482 2/20 0.49
CASP7 P55210 1/20 0.49
ABCC9 O60706 1/20 0.47

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
SCHEMBL456694 1.00 TDP1 (0.62) TDP1MAPTPOLBWNK1HCAR3
SCHEMBL141081 0.89 NT5E (0.60) TDP1MAPTPOLBWNK1HCAR3
SCHEMBL16147671 0.88 NT5E (0.61) TDP1MAPTPOLBWNK1HCAR3
SCHEMBL108329 0.88 NT5E (0.61) TDP1MAPTPOLBWNK1HCAR3
SCHEMBL29465202 0.88 MAPT (0.62) TDP1MAPTPOLBWNK1HCAR3
SCHEMBL27752519 0.87 MAPT (0.52) TDP1MAPTPOLBWNK1HCAR3
SCHEMBL13588699 0.87 TDP1 (0.54) TDP1MAPTPOLBWNK1HCAR3
SCHEMBL141078 0.87 NT5E (0.60) TDP1MAPTPOLBWNK1HCAR3
SCHEMBL141080 0.87 NT5E (0.60) TDP1MAPTPOLBWNK1HCAR3
SCHEMBL9817053 0.85 MAPT (0.74) TDP1MAPTPOLBWNK1HCAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2930126-B1 Fashionable aerosol dye HENKEL AG & CO KGAA (DE) 2019-10-09 EP claimed
EP-2930126-A1 Fashionable aerosol dye Henkel AG & Co. KGaA (DE) 2015-10-14 EP claimed
EP-2930126-B1 Fashionable aerosol dye HENKEL AG & CO KGAA (DE) 2019-10-09 EP disclosed
EP-2797577-B1 COMPOSITIONS FOR DYEING KERATIN FIBERS HENKEL AG & CO KGAA (DE) 2018-06-13 EP disclosed
EP-2044977-B1 Hair dye with oxidative pre-treatment HENKEL AG & CO KGAA (DE) 2018-02-14 EP disclosed
EP-2324811-B1 Foam-like dye HENKEL AG & CO KGAA (DE) 2018-01-03 EP disclosed
EP-2802383-B1 USE OF PROPYLENE OXIDE-MODIFIED STARCH FOR IMPROVING ARTIFICIAL COLOURING OF KERATIN FIBRES HENKEL AG & CO KGAA (DE) 2018-01-03 EP disclosed
EP-1660022-B1 AGENT FOR COLOURING KERATIN FIBRES HFC PRESTIGE INT HOLDING SWITZERLAND S A R L (CH) 2017-04-12 EP disclosed
EP-1771226-B2 MULTICOMPONENT KIT AND METHOD FOR DYEING KERATIN FIBRES Wella GmbH (DE) 2016-03-09 EP disclosed
EP-2930126-A1 Fashionable aerosol dye Henkel AG & Co. KGaA (DE) 2015-10-14 EP disclosed
EP-1944010-B1 Brightening and/or colouring agent with acrylic acid derivative(s) HENKEL AG & CO KGAA (DE) 2015-03-11 EP disclosed
EP-1002516-A1 Hair dyes containing indan derivatives Wella Aktiengesellschaft (DE) 2000-05-24 EP disclosed
WO-2000021496-A1 AGENT AND METHOD FOR DYEING FIBRES WELLA AKTIENGESELLSCHAFT (DE) 2000-04-20 WO disclosed
WO-1999059529-A2 AGENTS AND METHOD FOR PRODUCING SEMI-PERMANENT COLORATIONS OF KERATIN FIBERS WELLA AKTIENGESELLSCHAFT (DE) 1999-11-25 WO disclosed
EP-0943316-A2 Means for coloring and decoloring of hair Wella Aktiengesellschaft (DE) 1999-09-22 EP disclosed
EP-0898954-A2 Composition for dyeing keratin fibres Wella Aktiengesellschaft (DE) 1999-03-03 EP disclosed
EP-0889719-A1 AGENTS FOR DYING AND DECOLORIZING FIBERS Wella Aktiengesellschaft (DE) 1999-01-13 EP disclosed
EP-0877593-A1 AGENT FOR DYEING AND DECOLORIZING FIBERS Wella Aktiengesellschaft (DE) 1998-11-18 EP disclosed
WO-1998023247-A1 AGENT FOR DYEING AND DECOLORIZING FIBERS WELLA AKTIENGESELLSCHAFT (DE) 1998-06-04 WO disclosed
WO-1998022078-A1 AGENTS FOR DYING AND DECOLORIZING FIBERS WELLA AKTIENGESELLSCHAFT (DE) 1998-05-28 WO disclosed