SCHEMBL7760685

SCHEMBL7760685

O=S(=O)(CCCl)CCCNc1cccc(S(=O)(=O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.40
CA2 P00918 6/20 0.40
CA12 O43570 5/20 0.40
CA9 Q16790 5/20 0.40
CASR P41180 3/20 0.38
ALDH1A1 P00352 2/20 0.38
MITF O75030 2/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
NOD2 Q9HC29 1/20 0.38
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
SNCA P37840 1/20 0.35
FBP1 P09467 5/20 0.35
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL7840209 0.92 CA1 (0.41) CA1CA2CA12CA9CASR
SCHEMBL7756142 0.83 ALDH1A1 (0.39) CA1CA2CA12CA9ALDH1A1
SCHEMBL7759859 0.80 CA1 (0.40) CA1CA2CA12CA9CASR
SCHEMBL7756165 0.79 ALDH1A1 (0.53) CA1CA2CA12CA9ALDH1A1
SCHEMBL10383905 0.79 HTR7 (0.48) CA1CA2CA12CA9
SCHEMBL9816571 0.79 CA1 (0.42) CA1CA2CA12CA9CASR
Hydrochloric Acid SCHEMBL9412264 0.78 ALDH1A1 (0.52) CA1CA2CA12CA9ALDH1A1
SCHEMBL7762476 0.78 ALDH1A1 (0.52) CA1CA2CA12CA9ALDH1A1
SCHEMBL10383902 0.78 HTR7 (0.47) CA1CA2CA12CA9
SCHEMBL7756181 0.77 ALDH1A1 (0.50) CA2CA12CA9ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0675172-B1 Water-solable azo compounds, process for their preparation and their use as dyestuffs DYSTAR TEXTILFARBEN GMBH & CO (DE) 2001-04-11 EP disclosed
EP-0697443-B1 Triphendioxazine reactive dyes DYSTAR TEXTILFARBEN GMBH & CO (DE) 2001-04-04 EP disclosed
EP-0628606-B1 Triphendioxazine compounds, process for their preparation and their use as dyes DYSTAR TEXTILFARBEN GMBH & CO (DE) 2000-08-23 EP disclosed
US-5770709-A BRILLIANT COLOR SHADES, GOOD FASTNESS DURING USE AT HIGH DEGREE OF FIXING DYSTAR TEXTILFARBEN GMBH & CO DEUTSCHLAND KG (DE) 1998-06-23 US disclosed
EP-0697443-A2 Triphendioxazine reactive dyes HOECHST AKTIENGESELLSCHAFT (DE) 1996-02-21 EP disclosed
US-5484458-A POLYAMIDES OR CELLULOSE FIBERS HOECHST AKTIENGESELLSCHAFT (DE) 1996-01-16 US disclosed
EP-0629667-A1 Water-soluble fiber-reactive dyes, process for their preparation and the use thereof HOECHST AKTIENGESELLSCHAFT (DE) 1994-12-21 EP disclosed
EP-0628606-A1 Triphendioxazine compounds, process for their preparation and their use as dyes HOECHST AKTIENGESELLSCHAFT (DE) 1994-12-14 EP disclosed