SCHEMBL6935513

SCHEMBL6935513

Cc1cc(S(=O)(=O)CCOS(=O)(=O)O)cc(C)c1N

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
HTT P42858 1/20 0.37
THRB P10828 2/20 0.33
CYP3A4 P08684 2/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KMT2A Q03164 1/20 0.33
LOX P28300 2/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 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
SCHEMBL8951845 0.90 CA1 (0.38) ALDH1A1HTTTHRBTDP1
SCHEMBL25987068 0.83 ALDH1A1 (0.33) ALDH1A1HTTLOX
SCHEMBL8018573 0.83 ALDH1A1 (0.44) ALDH1A1HTTTHRBCYP3A4TSHR
SCHEMBL9457190 0.81 ALDH1A1 (0.36) ALDH1A1HTTTHRBTSHRTDP1
SCHEMBL11304535 0.81 POLB (0.35) ALDH1A1HTTTHRBTP53TSHR
SCHEMBL8663014 0.80 CA2 (0.47) ALDH1A1THRBCYP3A4TSHRTDP1
SCHEMBL8951838 0.80 CA2 (0.48) THRB
SCHEMBL6936839 0.80 ALDH1A1 (0.44) ALDH1A1HTTCYP3A4TSHRTDP1
SCHEMBL11313797 0.78 HSD17B10 (0.37) ALDH1A1HTTCYP3A4TSHRTDP1
SCHEMBL13892250 0.78 BRD4 (0.35) ALDH1A1HTTTHRBKMT2A

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1090962-B1 Dye mixtures of fiber-reactive azo dyes and use thereof for dyeing material containing hydroxy- and/or carboxamido groups DYSTAR TEXTILFARBEN GMBH & CO (DE) 2003-05-14 EP disclosed
EP-0979848-B1 Orange dye mixtures of fiber-reactive azo dyes and use thereof for dyeing material containing hydroxy- and/or carboxamido groups DYSTAR TEXTILFARBEN GMBH & CO (DE) 2002-04-17 EP disclosed
EP-1090962-A2 Dye mixtures of fiber-reactive azo dyes and use thereof for dyeing material containing hydroxy- and/or carboxamido groups DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 2001-04-11 EP disclosed
US-6159251-A Dye mixtures of fiber-reactive azo dyes and use thereof for dyeing material containing hydroxy-and/or carboxamido groups DYSTAR TEXTILFARBON GMBH & CO. DEUTSCHLAND KG (DE) 2000-12-12 US disclosed
EP-0979848-A1 Orange dye mixtures of fiber-reactive azo dyes and use thereof for dyeing material containing hydroxy- and/or carboxamido groups DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 2000-02-16 EP disclosed
US-5980590-A HIGH COLOR YIELD; FOR DYEING OR PRINTING OF CELLULOSIC FIBERS, WOOL, AND POLYAMIDE FIBERS DYSTAR TEXILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 1999-11-09 US disclosed
US-5931976-A FOR CELLULOSE, COTTON, WOOL, POLYAMIDES DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 1999-08-03 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-4703112-A COLOR FASTNESS, ACID RESISTANCE HOECHST AKTIENGESELLSCHAFT (DE) 1987-10-27 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-4430259-A Water-soluble disazo compounds suitable as fiber-reactive dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1984-02-07 US disclosed
US-4283196-A FIXING BY ACTION OF AN ALKALINE AGENT AMERICAN HOECHST CORPORATION (US) 1981-08-11 US disclosed