SCHEMBL7775064

SCHEMBL7775064

Nc1ccc2cc(S(=O)(=O)CCOS(=O)(=O)O)cc(S(=O)(=O)O)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NT5E P21589 3/20 0.49
CASP6 P55212 5/20 0.40
NSD2 O96028 2/20 0.40
DUSP3 P51452 1/20 0.40
PTPN5 P54829 1/20 0.40
PTPN11 Q06124 1/20 0.40
ALDH1A1 P00352 6/20 0.38
HSD17B10 Q99714 3/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
RAPGEF4 Q8WZA2 1/20 0.34
TDP1 Q9NUW8 3/20 0.33
TSHR P16473 2/20 0.33
THRB P10828 1/20 0.33
SUMO2 P61956 2/20 0.33
SUMO1 P63165 2/20 0.33
SENP7 Q9BQF6 2/20 0.33
SENP2 Q9HC62 2/20 0.33
KDM4E B2RXH2 2/20 0.33
POLB P06746 2/20 0.33

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
SCHEMBL9559143 0.95 NT5E (0.46) NT5ECASP6NSD2DUSP3PTPN5
SCHEMBL6028241 0.91 NT5E (0.55) NT5ECASP6NSD2DUSP3PTPN5
SCHEMBL9401854 0.91 CASP6 (0.48) NT5ECASP6NSD2DUSP3PTPN5
SCHEMBL9518647 0.85 NT5E (0.52) NT5ECASP6NSD2DUSP3PTPN5
SCHEMBL10428307 0.85 NT5E (0.44) NT5ECASP6NSD2DUSP3PTPN5
SCHEMBL15985990 0.84 PTGES (0.36) NT5ECASP6NSD2ALDH1A1HSD17B10
SCHEMBL6022278 0.82 ALDH1A1 (0.43) NT5ECASP6NSD2DUSP3PTPN5
SCHEMBL9681802 0.81 ALDH1A1 (0.42) NT5ECASP6NSD2DUSP3PTPN5
SCHEMBL9401878 0.81 CASP6 (0.55) NT5ECASP6NSD2DUSP3PTPN5
SCHEMBL7628352 0.80 CTDSP1 (0.43) NT5ECASP6NSD2DUSP3PTPN5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0772652-B1 REACTIVE MONOAZO DYESTUFFS CLARIANT FINANCE BVI LTD (VG) 2001-08-29 EP disclosed
US-5539088-A PROVIDE DYEINGS IN BRILLIANT SHADES WITH GOOD FASTNESS PROPERTIES AND HIGH DEGREE OF FIXATION HOECHST AKTIENGESELLSCHAFT (DE) 1996-07-23 US disclosed
US-5463031-A Printing, dyeing cellulose and organonitrogen compounds BAYER AKTIENGESELLSCHAFT (DE) 1995-10-31 US disclosed
US-5405415-A Reactive dyes for cellulose materials HOECHST AG (DE) 1995-04-11 US disclosed
US-5278293-A Aromatic amide-alkylenesulfonic acid fiber-reactive dyes BAYER AKTIENGESELLSCHAFT (DE) 1994-01-11 US disclosed
US-5278292-A Aromatic sulfonyl water-soluble color materials HOECHST AKTIENGESELLSCHAFT (DE) 1994-01-11 US disclosed
US-5231172-A Water solubility HOECHST AKTIENGESELLSCHAFT (DE) 1993-07-27 US disclosed
US-5227475-A WATER-SOLUBLE FIBER-REACTIVE DYESTUFFS CONTAINING A CYANAMIDO-SUBSTITUTED TRIAZINYLAMINO-GROUPING, AND A PROCESS FOR DYEING WITH THE USE OF THESE DYES HOECHST AKTIENGESELLSCHAFT (DE) 1993-07-13 US disclosed
EP-0344343-B1 PROCESS FOR THE REGIOSPECIFIC SULFONATION OF 2-AMINO-NAPHTALENES SUBSTITUTED IN THE 5- OR 7-POSITION BY A FIBRE REACTIVE VS-GROUP, THE NOVEL 5-SULFO-SUBSTITUTED FIBER-REACTIVE 2-AMINO-NAPHTHALENE, AND FIBRE-REACTIVE AZO DYES THEREOF HOECHST CELANESE CORPORATION (US) 1993-04-21 EP disclosed
EP-0343262-B1 FIBRE-REACTIVE AZO DYES, PROCESS FOR THEIR PREPARATION AND THEIR USE FOR DYEING HYDROXY- AND/OR CARBOXAMIDE GROUPS CONTAINING FIBRE-MATERIAL HOECHST CELANESE CORPORATION (US) 1993-03-17 EP disclosed
US-4963661-A MONOAZO DYES; FAST YELLOW TO ORANGE HUES HOECHST AKTIENGESELLSCHAFT (DE) 1990-10-16 US disclosed
US-4902786-A Phenylazonaphthol or naphthylazonaphthol compounds containing a fibre-reactive aminophenylamino-substituted halogen-s-triazinylamino group and a fibre-reactive group of the vinylsulfone series, suitable as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1990-02-20 US disclosed
EP-0344343-A1 Process for the regiospecific sulfonation of 2-amino-naphtalenes substituted in the 5- or 7-position by a fibre reactive vs-group, the novel 5-sulfo-substituted fiber-reactive 2-amino-naphthalene, and fibre-reactive azo dyes thereof HOECHST CELANESE CORPORATION (US) 1989-12-06 EP disclosed
EP-0343262-A1 Fibre-reactive azo dyes, process for their preparation and their use for dyeing hydroxy- and/or carboxamide groups containing fibre-material HOECHST CELANESE CORPORATION (US) 1989-11-29 EP disclosed
US-4775746-A Water-soluble monoazo compounds containing a fiber-reactive group of the vinylsulfone series and having a sulfonaphthol coupling component with a phenylaminotriazinylamino substituent, suitable as dyestuffs HOECHST AKTIENGESELLSHAFT (DE) 1988-10-04 US disclosed
US-4757136-A Water-soluble Azo compounds containing fiber-reactive groups and having a sulfo-naphthol coupling component with a triazinylamino substituent suitable as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1988-07-12 US disclosed
US-4740592-A Water-soluble azo compounds containing fiber-reactive groups and having a sulfo-naphthal coupling component with a triazinylamino substituent suitable as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1988-04-26 US disclosed
US-4731441-A Water-soluble azo compounds containing, as fiber-reactive groups, a (nitrophenylamino-phenylamino)-chloro-triazinylamino group and groups of the vinylsulfone series, suitable as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1988-03-15 US disclosed
US-4701523-A Water-soluble disazo compounds containing one or two (nitro-phenylamino)-phenylamino-chlorotriazinylamino groups, the nitro-phenylamino being additionally substituted by a fiber-reactive group of the vinylsulfone series, suitable as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1987-10-20 US disclosed
US-4659807-A Water-soluble pyridone monoazo compounds suitable as fiber reactive dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1987-04-21 US disclosed