SCHEMBL4649818

SCHEMBL4649818

COc1cc(OC)c(S(=O)(=O)O)cc1N

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.59
GAA P10253 2/20 0.47
ALDH1A1 P00352 7/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
POLB P06746 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
MMP1 P03956 1/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
MMP13 P45452 1/20 0.44
KDM4E B2RXH2 2/20 0.42
HTT P42858 1/20 0.42
F2 P00734 3/20 0.41
PRSS1 P07477 3/20 0.41
PRSS2 P07478 3/20 0.41

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
SCHEMBL4650366 0.92 PKM (0.70) PKMGAAALDH1A1LMNAMAPT
SCHEMBL8568415 0.89 PKM (0.55) PKMGAAALDH1A1LMNAMAPT
SCHEMBL1755131 0.89 PKM (0.55) PKMGAAALDH1A1LMNAMAPT
SCHEMBL8113725 0.89 PKM (0.59) PKMGAAALDH1A1LMNAMAPT
SCHEMBL5675189 0.87 PKM (0.53) PKMGAAALDH1A1LMNAMAPT
SCHEMBL9774295 0.86 ALDH1A1 (0.50) PKMGAAALDH1A1LMNAMAPT
SCHEMBL4882116 0.85 PKM (0.51) PKMGAAALDH1A1LMNAKMT2A
Acetoacetic Acid SCHEMBL11225443 0.85 PKM (0.45) PKMGAAALDH1A1LMNAMAPT
SCHEMBL4649757 0.85 PKM (0.59) PKMGAAALDH1A1LMNAMAPT
SCHEMBL1888725 0.83 ALDH1A1 (0.51) PKMGAAALDH1A1LMNAMAPT

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 78 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-1104472-C Reactive dyes with heterocyclic anchor 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
EP-0970148-B1 OLIGOMERIC AZO DYES BASF AG (DE) 2001-06-13 EP disclosed
EP-0719841-B1 Mixture of water soluble reactive azo dyes, process to manufacture it and its use DYSTAR TEXTILFARBEN GMBH & CO (DE) 2001-03-14 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
US-6146430-A Asymmetric dioxazine compound and method for dyeing or printing fiber Material using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-11-14 US disclosed
US-4677199-A Reactive dyes containing substituted 4-fluoropyridaz-6-one radicals BASF AKTIENGESELLSCHAFT (DE) 1987-06-30 US disclosed
EP-0212264-A1 Coloured water soluble compounds, process for their preparation and their use as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1987-03-04 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-0107016-A2 Process for printing textile material HOECHST AKTIENGESELLSCHAFT (DE) 1984-05-02 EP 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
US-4255509-A NAPHTHYL-AZO-PHENYL COMPOUND FUJI PHOTO FILM CO., LTD. (JP) 1981-03-10 US disclosed
US-4014865-A Golden-yellow fiber-reactive water-soluble monoazo dyestuffs HOECHST AKTIENGESELLSCHAFT (DT) 1977-03-29 US disclosed