SCHEMBL9776594

SCHEMBL9776594

Nc1cccc2c(S(=O)(=O)CCOS(=O)(=O)O)cc(S(=O)(=O)O)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.47
ALDH1A1 P00352 3/20 0.38
HSD17B10 Q99714 3/20 0.38
CASP6 P55212 2/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
SENP3 Q9H4L4 2/20 0.36
SENP2 Q9HC62 2/20 0.36
SENP1 Q9P0U3 2/20 0.36
SUMO2 P61956 1/20 0.36
SUMO1 P63165 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
APEX1 P27695 1/20 0.35
NSD2 O96028 10/20 0.35
GAA P10253 1/20 0.34
PLCG1 P19174 1/20 0.34
DNMT1 P26358 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL11682682 0.85 TTR (0.50) TTRALDH1A1HSD17B10CASP6CYP2C9
SCHEMBL9178147 0.84 TTR (0.58) TTRALDH1A1HSD17B10TSHRTDP1
SCHEMBL9649533 0.84 CASP6 (0.37) TTRALDH1A1HSD17B10CASP6CYP2C9
SCHEMBL6938223 0.81 SUMO2 (0.39) TTRALDH1A1HSD17B10CASP6CYP2C9
SCHEMBL31463177 0.80 TTR (0.66) TTRALDH1A1HSD17B10CASP6CYP2C9
SCHEMBL5675047 0.80 TTR (0.66) TTRALDH1A1HSD17B10CASP6CYP2C9
SCHEMBL9177053 0.78 TTR (0.46) TTRSENP3SENP2SENP1SUMO2
SCHEMBL9776655 0.78 SENP3 (0.41) TTRALDH1A1HSD17B10CASP6CYP2C9
SCHEMBL9776593 0.78 TTR (0.41) TTRALDH1A1HSD17B10CASP6CYP2C9
SCHEMBL9808418 0.77 APEX1 (0.44) TTRALDH1A1HSD17B10SENP2SUMO2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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
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
US-4703111-A Water-soluble compounds containing one or two (nitrophenylamino)-phenylamino-chlorotriazinylamino groups, the nitrophenylamino being additionally substituted by a fiber-reactive group of the vinylsulfonyl series, suitable as dyestuffs HOECHST AKTIENGESELLSCHAFT A CORP. OF GERMANY (DE) 1987-10-27 US 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
US-4659807-A Water-soluble pyridone monoazo compounds suitable as fiber reactive dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1987-04-21 US disclosed