SCHEMBL6561224

SCHEMBL6561224

C=CS(=O)(=O)CCNc1ccc(N)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.42
CA1 P00915 6/20 0.41
CA2 P00918 6/20 0.41
CA9 Q16790 5/20 0.41
CA12 O43570 4/20 0.41
CYP3A4 P08684 2/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40
PRMT1 Q99873 1/20 0.40
CYP2D6 P10635 1/20 0.36
KEAP1 Q14145 1/20 0.35
RAPGEF4 Q8WZA2 1/20 0.35
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
NT5E P21589 1/20 0.34
HTT P42858 1/20 0.34
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
RECQL P46063 1/20 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
SCHEMBL8019400 0.93 APP (0.41) APPCA1CA2CA9CA12
SCHEMBL7836779 0.83 CA1 (0.39) CA1CA2CA9CA12ALDH1A1
SCHEMBL7839373 0.82 ALDH1A1 (0.52) CA1CA2CA9CA12KEAP1
SCHEMBL7838566 0.81 TDP1 (0.46) CA1CA2CA9CA12ALDH1A1
SCHEMBL10383897 0.81 KDM4E (0.44) CA1CA2CA9CA12MAPK1
SCHEMBL6562101 0.79 CA1 (0.34) CA1CA2CA9CA12ALDH1A1
SCHEMBL7840702 0.79 GAA (0.58) APPCA1CA2CA9CA12
SCHEMBL4818407 0.78 APP (0.43) APPCA1CA2CA9CA12
SCHEMBL4821832 0.78 RECQL (0.50) APPCA1CA2CA9CA12
SCHEMBL7756121 0.77 RHOC (0.38) CA1CA2CA9CA12ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1055710-B1 Water-soluble fibre-reactive dyestuffs, process for their preparation and their use DYSTAR TEXTILFARBEN GMBH & CO (DE) 2004-08-11 EP disclosed
US-6444794-B1 COMPLEXING WITH SUBSTRATE DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2002-09-03 US disclosed
EP-1055710-A1 Water-soluble fibre-reactive dyestuffs, process for their preparation and their use DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 2000-11-29 EP disclosed
EP-0548795-B1 Water-soluble reactive dyes, their manufacture and their use HOECHST AG (DE) 1997-07-09 EP disclosed
US-5399674-A Dyestuffs containing pyrimidine-carboxylic acid amide radical having fiber-reactive group, processes for their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 1995-03-21 US disclosed
US-5334709-A Fiber-reactive dyes for cellulose materials, wool, polyamides; deep shades HOECHST AG (DE) 1994-08-02 US disclosed
EP-0603595-A1 Fibre reactive dyes, method for their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 1994-06-29 EP disclosed
EP-0542214-B1 Water-soluble fibre-reactive dyes, process for their preparation and the use thereof HOECHST AG (DE) 1994-05-25 EP disclosed
US-5280110-A Fiber-reactive dye HOECHST AKTIENGESELLSCHAFT (DE) 1994-01-18 US disclosed
EP-0575744-A1 Silane-containing dyestuffs, process for their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 1993-12-29 EP disclosed
US-5225544-A FIBER REACTIVE DYES WHICH CONTAIN A CYANOAMINOTRIAZINYL GROUP AND ONE OR TWO GROUPS OF THE VINYL SULFONE SERIES HOECHST AKTIENGESELLSCHAFT (DE) 1993-07-06 US disclosed
EP-0548792-A2 Water-soluble reactive dyes, their manufacture and their use HOECHST AKTIENGESELLSCHAFT (DE) 1993-06-30 EP disclosed
EP-0548795-A2 Water-soluble reactive dyes, their manufacture and their use HOECHST AKTIENGESELLSCHAFT (DE) 1993-06-30 EP disclosed
EP-0542214-A2 Water-soluble fibre-reactive dyes, process for their preparation and the use thereof HOECHST AKTIENGESELLSCHAFT (DE) 1993-05-19 EP disclosed