SCHEMBL9682404

SCHEMBL9682404

COc1cc(S(=O)(=O)CCOS(=O)(=O)O)c(Cl)cc1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.45
POLB P06746 1/20 0.45
PKM P14618 1/20 0.44
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
HTR3A P46098 1/20 0.35
HTR4 Q13639 1/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA12 O43570 1/20 0.34
CA3 P07451 1/20 0.34
CA4 P22748 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
SCHEMBL3481007 0.87 PKM (0.55) GAAPOLBPKMALDH1A1KDM4E
SCHEMBL9809482 0.87 HSD17B10 (0.37) POLBALDH1A1KDM4ESMN1; SMN2TSHR
SCHEMBL3481070 0.85 PKM (0.45) GAAPOLBPKMALDH1A1CYP3A4
SCHEMBL6883940 0.85 PKM (0.47) GAAPOLBPKMALDH1A1KDM4E
SCHEMBL9497725 0.85 GAA (0.49) GAAPOLBPKMALDH1A1KDM4E
SCHEMBL8951874 0.84 CA2 (0.39) GAAPOLBALDH1A1SMN1; SMN2CYP1A2
SCHEMBL9558895 0.84 CA2 (0.46) POLBALDH1A1CYP3A4TSHRCA1
SCHEMBL4382542 0.83 GAA (0.50) GAAPOLBPKMALDH1A1KDM4E
SCHEMBL6853410 0.82 PKM (0.49) POLBPKMALDH1A1KDM4ESMN1; SMN2
SCHEMBL9232355 0.79 GAA (0.56) GAAPOLBPKMALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5102993-A Useful in one phase printing due to stability in alkaline printing pastes and high color yield HOECHST AKTIENGESELLSCHAFT (DE) 1992-04-07 US disclosed
US-5047515-A Monoazo Dyes HOECHST AKTIENGESELLSCHAFT (DE) 1991-09-10 US disclosed
US-5015731-A For fibers such as wool and cellulose HOECHST AKTIENGESELLSCHAFT (DE) 1991-05-14 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
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-4564672-A Water-soluble monoazo and disazo compounds containing a fibre-reactive 2-alkoxy-5-chloro-aniline diazo component and copper complexes thereof, useful as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1986-01-14 US disclosed
EP-0167219-A1 Fiber-reactive compound having both pyridiniotriazinyl and vinylsulfone type groups SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-01-08 EP disclosed