SCHEMBL9762950

SCHEMBL9762950

Cc1ccc(Cl)cc1NCC(O)CS(=O)(=O)O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.43
POLB P06746 1/20 0.43
LMNA P02545 3/20 0.42
ALDH1A1 P00352 2/20 0.42
TSHR P16473 2/20 0.40
MAPT P10636 4/20 0.39
HTT P42858 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL19834217 0.86 HTT (0.54) GAAPOLBLMNAALDH1A1HTT
SCHEMBL10797298 0.86 MEN1 (0.44) GAAPOLBLMNAMAPTHTT
SCHEMBL9762757 0.83 MEN1 (0.50) POLBLMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL10799202 0.78 LMNA (0.40) GAALMNAALDH1A1TSHRSMN1; SMN2
SCHEMBL5312470 0.77 VDR (0.40) LMNAHTTSMN1; SMN2
SCHEMBL9761992 0.77 GAA (0.50) GAAPOLBLMNAALDH1A1TSHR
SCHEMBL5311911 0.76 VDR (0.39) LMNAHTTSMN1; SMN2
SCHEMBL9762899 0.74 GAA (0.48) GAAPOLBLMNAALDH1A1TSHR
SCHEMBL21131436 0.74 RAPGEF4 (0.47) GAAPOLBLMNAALDH1A1TSHR
SCHEMBL10797153 0.74 LMNA (0.51) GAALMNAALDH1A1TSHRMAPT

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 3 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-0051808-B1 WATER-SOLUBLE MONOAZO COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS DYESTUFFS HOECHST AKTIENGESELLSCHAFT (DE) 1984-07-04 EP disclosed