SCHEMBL8019236

SCHEMBL8019236

Nc1ccc(NCCCS(=O)(=O)CCCl)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.37
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
PRSS1 P07477 7/20 0.34
CYP2D6 P10635 1/20 0.34
F2 P00734 2/20 0.33
PRSS2 P07478 2/20 0.33
PRSS3 P35030 2/20 0.33
TMPRSS6 Q8IU80 2/20 0.33
ST14 Q9Y5Y6 2/20 0.33
KEAP1 Q14145 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
CYP3A4 P08684 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
SCHEMBL6560645 0.90 APP (0.39) APPCA12CA1CA2CA9
SCHEMBL7759904 0.85 RHOC (0.39) CA12CA1CA2CA9ALDH1A1
SCHEMBL4824936 0.84 PRSS1 (0.38) APPCA12CA1CA2CA9
SCHEMBL4823364 0.84 CA1 (0.42) APPCA12CA1CA2CA9
SCHEMBL7756165 0.83 ALDH1A1 (0.53) CA12CA1CA2CA9KEAP1
Hydrochloric Acid SCHEMBL9412264 0.82 ALDH1A1 (0.52) CA12CA1CA2CA9KEAP1
SCHEMBL10383432 0.82 PRSS1 (0.44) CA12CA1CA2CA9PRSS1
SCHEMBL7756142 0.81 ALDH1A1 (0.39) CA12CA1CA2CA9PRSS1
SCHEMBL7777221 0.81 ALDH1A1 (0.33) ALDH1A1MAPT
SCHEMBL7756137 0.80 GAA (0.54) APPCA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-0848042-A2 Water-soluble fiber-reactive dyes, process for their preparation and the use thereof DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 1998-06-17 EP disclosed
EP-0629667-B1 Water-soluble fiber-reactive dyes, process for their preparation and the use thereof HOECHST AG (DE) 1998-02-25 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
EP-0630946-A1 Water-soluble fibre reactive azo dyestuffs, process for their preparation and their use as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1994-12-28 EP disclosed
EP-0629667-A1 Water-soluble fiber-reactive dyes, process for their preparation and the use thereof HOECHST AKTIENGESELLSCHAFT (DE) 1994-12-21 EP 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