SCHEMBL7628352

SCHEMBL7628352

Nc1ccc2cccc(S(=O)(=O)CCOS(=O)(=O)O)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTDSP1 Q9GZU7 1/20 0.43
HTR6 P50406 1/20 0.38
NT5E P21589 1/20 0.38
APEX1 P27695 1/20 0.37
F2 P00734 2/20 0.35
PRSS1 P07477 2/20 0.35
PRSS2 P07478 2/20 0.35
PRSS3 P35030 2/20 0.35
HSD17B10 Q99714 4/20 0.34
ALDH1A1 P00352 3/20 0.34
TSHR P16473 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
PLAU P00749 1/20 0.33
TTR P02766 1/20 0.33
NSD2 O96028 1/20 0.32
DUSP3 P51452 1/20 0.32
PTPN5 P54829 1/20 0.32

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
SCHEMBL7624190 0.89 PLAU (0.43) CTDSP1HTR6NT5EAPEX1F2
SCHEMBL12829322 0.84 CYP1A2 (0.41) APEX1F2PRSS1PRSS2PRSS3
SCHEMBL11692932 0.83 CTDSP1 (0.40) CTDSP1HTR6NT5EAPEX1F2
SCHEMBL11691528 0.83 CA2 (0.43) CTDSP1HTR6APEX1F2PRSS1
SCHEMBL9149809 0.83 CTDSP1 (0.47) CTDSP1HTR6NT5EAPEX1F2
SCHEMBL7963753 0.83 CA1 (0.47) HTR6APEX1F2PRSS1PRSS2
SCHEMBL9559143 0.83 NT5E (0.46) NT5EAPEX1HSD17B10ALDH1A1TSHR
SCHEMBL9808418 0.82 APEX1 (0.44) HTR6APEX1F2PRSS1PRSS2
SCHEMBL6028241 0.82 NT5E (0.55) CTDSP1NT5EAPEX1HSD17B10ALDH1A1
SCHEMBL11698374 0.82 AR (0.44) CTDSP1HTR6APEX1F2PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6444794-B1 COMPLEXING WITH SUBSTRATE DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2002-09-03 US disclosed
US-6060591-A FOR DYEING A MATERIAL CONTAINING HYDROXY OR CARBOXAMIDE GROUPS OR BOTH DY STAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND K.G. (DE) 2000-05-09 US disclosed
US-5514782-A Phenyl-azo-aminophenyl compounds substituted by an aminosubstituted fluoro-triazinylamino group and a fibre-reactive group of the vinylsulfone series HOECHST AKTIENGESELLSCHAFT (DE) 1996-05-07 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-5349057-A Water soluble azo dyes containing a cyanoamino-triazinyl-amino group and a fiber-reactive of the sulfone series HOECHST AKTIENGESELLSCHAFT (DE) 1994-09-20 US disclosed
US-5310886-A Fiber-reactive HOECHST AKTIENGESELLSCHAFT (DE) 1994-05-10 US disclosed
US-5278292-A Aromatic sulfonyl water-soluble color materials HOECHST AKTIENGESELLSCHAFT (DE) 1994-01-11 US disclosed
US-5250670-A For discharge or resist printing HOECHST AKTIENGESELLSCHAFT (DE) 1993-10-05 US disclosed
US-5233026-A For cold, pad-batch process; color and washfastness CIBA-GEIGY CORPORATION (US) 1993-08-03 US disclosed
US-4659807-A Water-soluble pyridone monoazo compounds suitable as fiber reactive dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1987-04-21 US disclosed
US-4652634-A Water-soluble monoazo compounds containing a N-(sulfoalkyl)-aniline coupling component and a fiber-reactive group of the vinylsulfonyl series in the phenyl or benzothiazole diazo component, suitable as fiber-reactive dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1987-03-24 US disclosed
US-4581036-A Process for preparing liquid low-salt aqueous reactive dyestuff compositions HOECHST AKTIENGESELLSCHAFT (DE) 1986-04-08 US disclosed
US-4482501-A REACTING AN AMINOARYL- OR AMIDOARYL-B- HYDROXYLETHYLSULFONE WITH SULFURIC ACID SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-11-13 US disclosed
US-4430259-A Water-soluble disazo compounds suitable as fiber-reactive dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1984-02-07 US disclosed
US-4394310-A DIAZOTIZATION, CYCLIZATION HOECHST AKTIENGESELLSCHAFT (DE) 1983-07-19 US disclosed
US-4346046-A FROM AMINOARYL-B-HYDROXYETHYLSULFONE AND SULFURIC ACID SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-08-24 US disclosed
US-4252529-A AMINOPHENOL OR AMINONAPHTHOL COMPOUND WITH SUBSTITUTED FIBER-REACTIVE RADICAL HOECHST AKTIENGESELLSCHAFT (DE) 1981-02-24 US disclosed
US-4045428-A Water-soluble reactive naphthylazonaphthyl dyestuffs HOECHST AKTIENGESELLSCHAFT (DT) 1977-08-30 US disclosed
US-4035350-A Process for the preparation of water-soluble azo dyestuffs by reacting an aromatic amine and a coupling component with alkali metal nitrite or alkyl nitrite in the absence of acid HOECHST AKTIENGESELLSCHAFT (DT) 1977-07-12 US disclosed