SCHEMBL9308970

SCHEMBL9308970

Nc1ccc(Nc2ccc(S(=O)(=O)O)cc2[N+](=O)[O-])cc1S(=O)(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.54
MAPT P10636 5/20 0.51
TDP1 Q9NUW8 3/20 0.51
POLB P06746 1/20 0.51
MAPK1 P28482 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ALDH3A1 P30838 8/20 0.49
L3MBTL1 Q9Y468 4/20 0.48
NSD2 O96028 1/20 0.48
GAA P10253 1/20 0.48
PLCG1 P19174 1/20 0.48
DNMT1 P26358 1/20 0.48
CASP6 P55212 1/20 0.48
ALDH1A1 P00352 3/20 0.46
LMNA P02545 3/20 0.46
NPSR1 Q6W5P4 1/20 0.46
WNK1 Q9H4A3 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.45

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
SCHEMBL11102201 0.90 MAPT (0.51) NT5EMAPTTDP1POLBMAPK1
SCHEMBL10531279 0.90 MAPT (0.53) NT5EMAPTTDP1POLBMAPK1
SCHEMBL11439586 0.88 NT5E (0.65) NT5EMAPTTDP1POLBMAPK1
SCHEMBL9784323 0.88 NT5E (0.47) NT5EMAPTTDP1POLBMAPK1
SCHEMBL10401691 0.88 ALDH3A1 (0.48) NT5EMAPTTDP1POLBMAPK1
SCHEMBL10709590 0.86 ALDH3A1 (0.56) NT5EMAPTTDP1POLBMAPK1
SCHEMBL10881545 0.86 MEN1 (0.52) NT5EMAPTTDP1POLBMAPK1
SCHEMBL3240949 0.84 MAPT (0.66) NT5EMAPTTDP1POLBMAPK1
SCHEMBL10882562 0.84 MEN1 (0.52) MAPTTDP1POLBMAPK1MEN1
SCHEMBL10884267 0.84 ALDH3A1 (0.59) MAPTTDP1POLBMAPK1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5298607-A Reactive dyes for cotton CIBA-GEIGY CORPORATION (US) 1994-03-29 US disclosed
US-4808706-A WET- AND LIGHFAST; SOLUBLE CIBA-GEIGY CORPORATION (US) 1989-02-28 US disclosed
US-4680384-A PYRIMIDINE DYES CIBA-GEIGY CORPORATION (US) 1987-07-14 US disclosed
US-4568350-A Cold pad-batch process for dyeing silk or silk-containing fiber blends with reactive dyes CIBA-GEIGY CORPORATION (US) 1986-02-04 US disclosed
US-4560388-A WITH SULFO GROUP CONTAINING FIBER REACTIVE DYE CIBA-GEIGY CORPORATION (US) 1985-12-24 US disclosed
US-4507236-A Fibre-reactive dyes, containing both chloro and fluoro triazine radicals CIBA-GEIGY CORPORATION (US) 1985-03-26 US disclosed
EP-0128316-A1 Reactive disazo dyes BAYER AG (DE) 1984-12-19 EP disclosed
EP-0126025-A1 Process for dyeing silk or silk-containing fibrous material blends CIBA-GEIGY AG (CH) 1984-11-21 EP disclosed
EP-0126026-A1 Process for dyeing silk or silk-containing fibrous material blends CIBA-GEIGY AG (CH) 1984-11-21 EP disclosed
EP-0059355-A2 Use of reactive dyestuffs in dyeing and printing of hydroxylgroups containing fibrous materials BAYER AG (DE) 1982-09-08 EP disclosed
US-4261889-A TRIAZINE DYES FOR COTTON CIBA-GEIGY CORP. (US) 1981-04-14 US disclosed
US-4213899-A FOR CELLULOSE IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1980-07-22 US disclosed
US-4141890-A FIBER-REACTIVE CIBA-GEIGY CORPORATION (US) 1979-02-27 US disclosed
US-RE29585-E DYEING WOOL CIBA-GEIGY CORPORATION (US) 1978-03-21 US disclosed
US-4079051-A 4-Halogeno-s-triazin-2-yl-phosphoramide acid containing reactive dyestuffs CIBA-GEIGY CORPORATION (US) 1978-03-14 US disclosed
US-4067864-A FOR CELLULOSE OR POLYAMIDES CIBA-GEIGY AG (CH) 1978-01-10 US disclosed
US-4039523-A YELLOW CIBA-GEIGY AG (CH) 1977-08-02 US disclosed
US-4017477-A 3-Halogeno-6-hydroxy-pyridone-(2) azo dyestuffs CIBA-GEIGY AG (CH) 1977-04-12 US disclosed
US-4001203-A Heavy metal complexes of azo dyestuffs containing a heterocyclic diazo component and the residue of 5-halogeno-2,3-dihydrozypyridine as coupling component CIBA-GEIGY AG (CH) 1977-01-04 US disclosed
US-3971738-A Heavy metal complexes of azo compounds containing a halogeno-2,3-dihydroxy pyridine coupling component CIBA-GEIGY AG (CH) 1976-07-27 US disclosed