SCHEMBL8018573

SCHEMBL8018573

Cc1cc(S(=O)(=O)CCOS(=O)(=O)O)ccc1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
HTT P42858 1/20 0.44
CYP3A4 P08684 3/20 0.37
TDP1 Q9NUW8 3/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
KDM4E B2RXH2 2/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
RAB9A P51151 1/20 0.37
S100B P04271 1/20 0.36
TSHR P16473 1/20 0.35
LMNA P02545 2/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
SKP2 Q13309 1/20 0.35
LOX P28300 2/20 0.35
CA2 P00918 3/20 0.34
CA12 O43570 1/20 0.34

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
SCHEMBL6936839 0.88 ALDH1A1 (0.44) ALDH1A1HTTCYP3A4TDP1KMT2A
SCHEMBL6885235 0.85 CA2 (0.53) ALDH1A1HTTKMT2AMEN1KDM4E
SCHEMBL7621250 0.84 GAA (0.36) ALDH1A1HTTKMT2AMEN1KDM4E
SCHEMBL13892248 0.83 ESR1 (0.46) ALDH1A1HTTCYP3A4TDP1KMT2A
SCHEMBL6029167 0.83 HSD17B10 (0.45) ALDH1A1CYP3A4KMT2AMEN1KDM4E
SCHEMBL9558736 0.83 CA2 (0.41) ALDH1A1HTTKMT2AMEN1KDM4E
SCHEMBL6935513 0.83 ALDH1A1 (0.37) ALDH1A1HTTCYP3A4TDP1KMT2A
SCHEMBL4665308 0.82 MAPT (0.45) ALDH1A1HTTCYP3A4TDP1GAA
SCHEMBL13392068 0.82 ALDH1A1 (0.44) ALDH1A1HTTCYP3A4KMT2AMEN1
SCHEMBL8707661 0.82 CA2 (0.40) ALDH1A1HTTKMT2AMEN1KDM4E

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 17 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
US-5834601-A DYEING CELLULOSE, WOOL, POLYAMIDE DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 1998-11-10 US disclosed
CN-1103417-A Water soluble azo dyes which is reactable with fibre, preparation and application of same HOECHST AG (DE) 1995-06-07 CN disclosed
US-5003053-A Water-soluble monoazo compounds containing a p-aminophenylamino- and chloro- or fluoro-substituted triazinylamino group and a fiber-reactive group selected from the vinylsulfone series, suitable as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1991-03-26 US disclosed
US-4906738-A Water-soluble phenyl- or naphthyl-azo-carboxypyrazolone compounds, containing a fiber-reactive group with a chloratriazinyl moiety and a group of the vinylsulfone series in the pyrazolone coupling component, suitable as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1990-03-06 US disclosed
US-4902786-A Phenylazonaphthol or naphthylazonaphthol compounds containing a fibre-reactive aminophenylamino-substituted halogen-s-triazinylamino group and a fibre-reactive group of the vinylsulfone series, suitable as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1990-02-20 US disclosed
EP-0201868-B1 WATER SOLUBLE DISAZO COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS DYESTUFFS HOECHST AKTIENGESELLSCHAFT (DE) 1989-02-01 EP disclosed
US-4775746-A Water-soluble monoazo compounds containing a fiber-reactive group of the vinylsulfone series and having a sulfonaphthol coupling component with a phenylaminotriazinylamino substituent, suitable as dyestuffs HOECHST AKTIENGESELLSHAFT (DE) 1988-10-04 US disclosed
EP-0279351-A2 Water soluble azo compounds, process for their preparation and their use as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1988-08-24 EP disclosed
US-4757136-A Water-soluble Azo compounds containing fiber-reactive groups and having a sulfo-naphthol coupling component with a triazinylamino substituent suitable as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1988-07-12 US disclosed
US-4740592-A Water-soluble azo compounds containing fiber-reactive groups and having a sulfo-naphthal coupling component with a triazinylamino substituent suitable as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1988-04-26 US disclosed
US-4731441-A Water-soluble azo compounds containing, as fiber-reactive groups, a (nitrophenylamino-phenylamino)-chloro-triazinylamino group and groups of the vinylsulfone series, suitable as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1988-03-15 US disclosed
EP-0242850-A1 Water soluble monoazo compounds, process for their preparation and their use as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1987-10-28 EP disclosed
US-4701523-A Water-soluble disazo compounds containing one or two (nitro-phenylamino)-phenylamino-chlorotriazinylamino groups, the nitro-phenylamino being additionally substituted by a fiber-reactive group of the vinylsulfone series, suitable as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1987-10-20 US disclosed
EP-0231836-A2 Water soluble disazo compounds, process for their preparation and their use as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1987-08-12 EP disclosed
US-4659807-A Water-soluble pyridone monoazo compounds suitable as fiber reactive dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1987-04-21 US disclosed
EP-0073406-B1 WATER-SOLUBLE MONOAZO PYRAZOLONE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS DYESTUFFS HOECHST AKTIENGESELLSCHAFT (DE) 1985-03-20 EP disclosed