SCHEMBL4649757

SCHEMBL4649757

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.59
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
GAA P10253 1/20 0.42
F2 P00734 3/20 0.42
PRSS1 P07477 3/20 0.42
PRSS2 P07478 3/20 0.42
PRSS3 P35030 3/20 0.42
ALDH1A1 P00352 7/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 2/20 0.42
S100B P04271 1/20 0.41
CYP3A4 P08684 4/20 0.39

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
SCHEMBL8113725 0.92 PKM (0.59) PKML3MBTL1POLBCA1CA2
SCHEMBL9768634 0.92 PKM (0.51) PKML3MBTL1POLBCA1CA2
SCHEMBL2914715 0.90 PKM (0.56) PKML3MBTL1POLBCA1CA2
SCHEMBL4650366 0.89 PKM (0.70) PKML3MBTL1POLBCA1CA2
SCHEMBL1755131 0.89 PKM (0.55) PKML3MBTL1POLBCA1CA2
SCHEMBL8568415 0.89 PKM (0.55) PKML3MBTL1POLBCA1CA2
SCHEMBL31435700 0.85 PKM (0.56) PKML3MBTL1POLBCA1CA2
SCHEMBL153566 0.85 PKM (0.56) PKML3MBTL1POLBCA1CA2
SCHEMBL2911879 0.85 PKM (0.47) PKML3MBTL1CA1CA2MMP1
SCHEMBL4649818 0.85 PKM (0.59) PKML3MBTL1POLBCA1CA2

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 85 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
EP-0962500-B1 Water soluble monoazo compounds, process for their preparation and their use as dyestuffs DYSTAR TEXTILFARBEN GMBH & CO (DE) 2004-01-28 EP disclosed
US-6485527-B1 Use of reactive dyes for dyeing hair BASF AKTIENGESELLSCHAFT (DE) 2002-11-26 US disclosed
EP-1248820-A2 DISAZO COMPOUNDS, THEIR PREPARATION AND THEIR USE AS DYESTUFFS DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 2002-10-16 EP 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
WO-2001049791-A2 DISAZO COMPOUNDS, THEIR PREPARATION AND THEIR USE AS DYESTUFFS DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2001-07-12 WO disclosed
EP-1097970-A2 Water-soluble monoazo compounds, process for their preparation and their use as dyestuffs DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 2001-05-09 EP disclosed
US-6197941-B1 TRIAZINE, METALLIZED, AZO, ANTHRAQUINONE, FORMAZAN, PHTHALOCYANINE, AND DIOXAZINE DYES BASF AKTIENGESELLSCHAFT (DE) 2001-03-06 US disclosed
EP-1075500-A1 WATER-SOLUBLE MONOAZO COMPOUNDS, METHOD FOR PRODUCING SAME AND THEIR USE AS DYES DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 2001-02-14 EP disclosed
EP-0119441-A2 Reactive dyes with substituted 4-fluoropyridaz-6-one groups BASF Aktiengesellschaft (DE) 1984-09-26 EP disclosed
EP-0094020-A1 Water-soluble disazo compounds, process for their preparation and their use as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1983-11-16 EP disclosed
EP-0087113-A2 Water soluble disazo compounds, process for their preparation and their use as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1983-08-31 EP disclosed
EP-0001451-B1 WATER-SOLUBLE AZO-PHTHALOCYANINE FIBRE-REACTIVE DYESTUFFS, THEIR PREPARATION AND THEIR USE CASSELLA Aktiengesellschaft (DE) 1981-09-23 EP disclosed
US-4210582-A FIBER-REACTIVE YELLOW DYES FOR WOOL CIBA-GEIGY CORPORATION (US) 1980-07-01 US disclosed
US-4204056-A Process and intermediates for preparing fiber-reactive phthalocyanine dyes CASSELLA AKTIENGESELLSCHAFT (DE) 1980-05-20 US disclosed
US-4191686-A FROM SULFONYL HALIDE SUBSTITUTED PARENT BY AMIDATION WITH AROMATIC DIAMINE, DIAZOTIZING, COUPLING TO KETO SUCCINIC ESTER, CYCLIZING, COUPLING TO REACTIVE MOIETY CASSELLA AKTIENGESELLSCHAFT (DE) 1980-03-04 US disclosed
EP-0001614-A1 Water-soluble, fibre-reactive, green azo-phthalocyanine dyestuffs, their preparation and their application, as well as the phthalocyanine pyrazolone intermediates and their preparation CASSELLA Aktiengesellschaft (DE) 1979-05-02 EP disclosed
EP-0001629-A1 Water-soluble, fibre-reactive, green azo-phthalocyanine dyestuffs, their preparation and their use CASSELLA Aktiengesellschaft (DE) 1979-05-02 EP disclosed
EP-0001451-A1 Water-soluble azo-phthalocyanine fibre-reactive dyestuffs, their preparation and their use CASSELLA Aktiengesellschaft (DE) 1979-04-18 EP disclosed