SCHEMBL4649732

SCHEMBL4649732

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTDSP1 Q9GZU7 1/20 0.46
KDM4E B2RXH2 3/20 0.38
GAA P10253 3/20 0.38
MAPT P10636 3/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
CA2 P00918 2/20 0.38
POLB P06746 3/20 0.38
RECQL P46063 2/20 0.38
ESR2 Q92731 1/20 0.38
NOS1 P29475 2/20 0.37
NOS3 P29474 1/20 0.37
NOS2 P35228 1/20 0.37
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
RAB9A P51151 1/20 0.35
CDC25B P30305 2/20 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
SCHEMBL4649652 0.87 CA2 (0.38) CTDSP1KDM4EGAAMAPTALDH1A1
SCHEMBL8400669 0.84 GAA (0.50) CTDSP1KDM4EGAAMAPTALDH1A1
Ammonia Solution, Strong SCHEMBL7547968 0.82 GAA (0.48) CTDSP1KDM4EGAAMAPTALDH1A1
Trimethylammonium SCHEMBL7550558 0.81 POLB (0.44) CTDSP1KDM4EGAAMAPTALDH1A1
SCHEMBL8747645 0.81 CTDSP1 (0.49) CTDSP1KDM4EGAAMAPTALDH1A1
SCHEMBL9813180 0.80 MC4R (0.46) CTDSP1CA2CA1
SCHEMBL9841088 0.79 ALDH1A1 (0.37) CTDSP1KDM4EGAAMAPTALDH1A1
SCHEMBL8074965 0.79 CTDSP1 (0.43) CTDSP1KDM4EGAAMAPTALDH1A1
SCHEMBL13071938 0.79 POLB (0.59) CTDSP1KDM4EGAAMAPTALDH1A1
SCHEMBL6260016 0.78 CTDSP1 (0.47) CTDSP1HPGDHSD17B10CA2POLB

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 43 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
EP-1027387-B1 DOUBLE REACTIVE DYES DYSTAR TEXTILFARBEN GMBH & CO (DE) 2002-02-06 EP disclosed
US-6197941-B1 TRIAZINE, METALLIZED, AZO, ANTHRAQUINONE, FORMAZAN, PHTHALOCYANINE, AND DIOXAZINE DYES BASF AKTIENGESELLSCHAFT (DE) 2001-03-06 US disclosed
US-6159250-A Doubled reactive dyes BASF AKTIENGESELLSCHAFT (DE) 2000-12-12 US disclosed
CN-1268156-A Double reactive dyes BASF AG (DE) 2000-09-27 CN disclosed
EP-0119441-B1 REACTIVE DYES WITH SUBSTITUTED 4-FLUOROPYRIDAZ-6-ONE GROUPS BASF Aktiengesellschaft (DE) 1987-02-25 EP disclosed
EP-0167785-A1 Reactive dyes BASF Aktiengesellschaft (DE) 1986-01-15 EP disclosed
EP-0045488-B1 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) 1985-06-19 EP disclosed
EP-0133270-A1 Reactive dyes BASF Aktiengesellschaft (DE) 1985-02-20 EP disclosed
EP-0119441-A2 Reactive dyes with substituted 4-fluoropyridaz-6-one groups BASF Aktiengesellschaft (DE) 1984-09-26 EP disclosed
US-4473498-A Water-soluble, fiber-reactive organic dyestuffs containing a β-chloro-ethylsulfonyl-methyl-benzoic acid amide group HOECHST AKTIENGESELLSCHAFT (DE) 1984-09-25 US disclosed
EP-0012969-B1 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) 1983-06-08 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-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-3988310-A FIBER-REACTIVE DYES; CELLULOSE BAYER AKTIENGESELLSCHAFT (DT) 1976-10-26 US disclosed