SCHEMBL4649652

SCHEMBL4649652

CNCc1ccc(S(=O)(=O)O)c(N)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.38
NOS1 P29475 2/20 0.37
SLC6A2 P23975 3/20 0.37
SLC6A4 P31645 3/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
NOS3 P29474 1/20 0.37
NOS2 P35228 1/20 0.37
TTR P02766 1/20 0.35
ALDH1A1 P00352 3/20 0.35
GAA P10253 3/20 0.35
KDM4E B2RXH2 3/20 0.35
MAPT P10636 3/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
CA1 P00915 1/20 0.35
POLB P06746 2/20 0.35
RECQL P46063 2/20 0.35
ESR2 Q92731 1/20 0.35

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
SCHEMBL4649732 0.87 CTDSP1 (0.46) CA2NOS1SLC6A2SLC6A4CTDSP1
SCHEMBL11196400 0.84 HSD17B10 (0.45) CA2CTDSP1TTRALDH1A1GAA
SCHEMBL11204898 0.83 HTR7 (0.37) CA2CTDSP1ALDH1A1GAAMAPT
SCHEMBL8452866 0.81 CA2 (0.41) CA2NOS1CTDSP1NOS3NOS2
SCHEMBL8030396 0.79 CA2 (0.39) CA2CTDSP1TTRALDH1A1GAA
SCHEMBL7753824 0.77 MAPK1 (0.45) CA2ALDH1A1MAPTCA1
Water SCHEMBL21802353 0.77 CA2 (0.43) CA2TTRALDH1A1GAAKDM4E
SCHEMBL9841088 0.76 ALDH1A1 (0.37) CA2NOS1CTDSP1NOS3NOS2
SCHEMBL7822383 0.76 TAAR1 (0.44) CA2SLC6A2ALDH1A1GAAKDM4E
SCHEMBL8947668 0.75 CASP6 (0.42) CA2ALDH1A1KDM4EMAPTCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1000123-B1 USE OF REACTIVE DYES FOR DYEING HAIR BASF SE (DE) 2008-09-10 EP disclosed
CN-1229099-C Use of reactive dyes for dyeing hair BASF AG (DE) 2005-11-30 CN disclosed
CN-1104472-C Reactive dyes with heterocyclic anchor BASF AG (DE) 2003-04-02 CN disclosed
CN-1104471-C Double reactive dyes BASF AG (DE) 2003-04-02 CN disclosed
US-6485527-B1 Use of reactive dyes for dyeing hair BASF AKTIENGESELLSCHAFT (DE) 2002-11-26 US disclosed
EP-0929610-B1 REACTIVE DYES WITH A HETEROCYCLIC ANCHOR DYSTAR TEXTILFARBEN GMBH & CO (DE) 2002-08-28 EP disclosed
US-6376656-B1 DISAZO DYES, TRIAZINE DYES DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2002-04-23 US disclosed
EP-1027387-B1 DOUBLE REACTIVE DYES DYSTAR TEXTILFARBEN GMBH & CO (DE) 2002-02-06 EP disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
EP-0774493-B1 Fiber-reactive azo dyestuffs, process for their preparation and use thereof DYSTAR TEXTILFARBEN GMBH & CO (DE) 2001-04-04 EP disclosed
EP-0045488-A2 Water-soluble fibre-reactive compounds and their use in finishing textiles, as well as the beta-chloroethyl-sulfonyl-methyl-benzoic-acid halogenides, and their use as a fibre-reactive anchor HOECHST AKTIENGESELLSCHAFT (DE) 1982-02-10 EP disclosed
EP-0043927-A2 Process for preparing reactive azo dyestuffs BAYER AG (DE) 1982-01-20 EP disclosed
EP-0043465-A2 Reactive dyestuffs and their use in dyeing and printing fibre materials containing hydroxyle groups or nitrogen BAYER AG (DE) 1982-01-13 EP disclosed
EP-0036838-A2 Azo dyestuffs, their preparation and their use CIBA-GEIGY AG (CH) 1981-09-30 EP disclosed
EP-0024668-A2 Reactive dyestuffs and their use in dyeing and printing hydroxyl groups and nitrogen containing materials BAYER AG (DE) 1981-03-11 EP disclosed
EP-0023955-A1 Process of preparation of copper complexes of disazo-dyestuffs BAYER AG (DE) 1981-02-18 EP disclosed
EP-0021372-A2 Copper complexes of disazo reactive dyestuffs BAYER AG (DE) 1981-01-07 EP disclosed
EP-0012969-A2 Water-soluble fibre-reactive compounds and their use in fibre finishing,especially as dyestuffs,and dihalogeno-pyridazonyl-carboxylic and sulfonic acid halides and their use as fibre-reactive anchors,as well as process for the preparation of these compound HOECHST AKTIENGESELLSCHAFT (DE) 1980-07-09 EP disclosed
US-4118382-A DYES FOR CELLULOSE, WOOL, SILK, POLYAMIDE, AND POLYURETHANE FIBERS BAYER AKTIENGESELLSCHAFT (DE) 1978-10-03 US disclosed
US-3988310-A FIBER-REACTIVE DYES; CELLULOSE BAYER AKTIENGESELLSCHAFT (DT) 1976-10-26 US disclosed