SCHEMBL7842624

SCHEMBL7842624

O=S(=O)(CCCl)CCCCC[N]c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 2/20 0.36
NFE2L2 Q16236 2/20 0.36
CA2 P00918 2/20 0.35
MGLL Q99685 1/20 0.30

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
SCHEMBL7840761 0.98 KEAP1 (0.36) KEAP1NFE2L2CA2
SCHEMBL7756158 0.93 CA2 (0.33) KEAP1NFE2L2CA2
SCHEMBL7801205 0.86 CA2 (0.32) CA2
SCHEMBL7828787 0.79 ALDH1A1 (0.31) CA2
SCHEMBL7856021 0.77 ALDH1A1 (0.36)
SCHEMBL7800938 0.75 KEAP1 (0.31) KEAP1NFE2L2CA2
SCHEMBL7803208 0.75 POLB (0.40)
SCHEMBL8082142 0.74 CA2 (0.31) CA2
SCHEMBL7840826 0.74 PTGS2 (0.39) CA2
SCHEMBL7839508 0.74 TDP1 (0.37) CA2

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
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
US-5539088-A PROVIDE DYEINGS IN BRILLIANT SHADES WITH GOOD FASTNESS PROPERTIES AND HIGH DEGREE OF FIXATION HOECHST AKTIENGESELLSCHAFT (DE) 1996-07-23 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