SCHEMBL9762899

SCHEMBL9762899

Cc1ccc(Cl)cc1NCCCS(=O)(=O)O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.48
POLB P06746 2/20 0.48
GUCY1A1 Q02108 1/20 0.44
GUCY1B1 Q02153 1/20 0.44
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
TSHR P16473 2/20 0.42
CCR1 P32246 1/20 0.41
THRB P10828 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPT P10636 4/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL9761992 0.91 GAA (0.50) GAAPOLBALDH1A1LMNATSHR
SCHEMBL10799697 0.85 MEN1 (0.46) GAAPOLBTSHRCCR1TDP1
SCHEMBL2743946 0.84 CYP3A4 (0.54) GAAGUCY1A1GUCY1B1ALDH1A1LMNA
SCHEMBL10126545 0.82 GUCY1A1 (0.59) GAAPOLBGUCY1A1GUCY1B1ALDH1A1
SCHEMBL25396737 0.81 CYP3A4 (0.54) GAAGUCY1A1GUCY1B1ALDH1A1LMNA
SCHEMBL7824863 0.81 POLB (0.45) GAAPOLBALDH1A1LMNACCR1
SCHEMBL7657031 0.80 GAA (0.50) GAAPOLBGUCY1A1GUCY1B1ALDH1A1
SCHEMBL9852005 0.78 MAPT (0.58) GAAPOLBALDH1A1TDP1MAPT
SCHEMBL2743807 0.77 CYP3A4 (0.50) GUCY1A1GUCY1B1LMNATSHR
SCHEMBL30575034 0.77 KMT2A (0.42) GAAGUCY1A1GUCY1B1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5003052-A Monoazo fiber reactive dye for cellulose, polyamides, wool, silk, polyurethanes and leather CIBA-GEIGY CORPORATION (US) 1991-03-26 US disclosed
US-4652634-A Water-soluble monoazo compounds containing a N-(sulfoalkyl)-aniline coupling component and a fiber-reactive group of the vinylsulfonyl series in the phenyl or benzothiazole diazo component, suitable as fiber-reactive dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1987-03-24 US disclosed
EP-0208655-A2 Reactive dyes, their preparation and their use CIBA-GEIGY AG (CH) 1987-01-14 EP disclosed
EP-0051808-B1 WATER-SOLUBLE MONOAZO COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS DYESTUFFS HOECHST AKTIENGESELLSCHAFT (DE) 1984-07-04 EP disclosed
US-4430259-A Water-soluble disazo compounds suitable as fiber-reactive dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1984-02-07 US disclosed
EP-0051808-A2 Water-soluble monoazo compounds, process for their preparation and their use as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1982-05-19 EP disclosed