SCHEMBL7800938

SCHEMBL7800938

CC(Cl)CS(=O)(=O)CCC[N]c1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31
GRIA4 P48058 1/20 0.31
CA2 P00918 1/20 0.30
MITF O75030 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
GPR55 Q9Y2T6 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
SCHEMBL7756158 0.78 CA2 (0.33) KEAP1NFE2L2CA2
SCHEMBL7840761 0.76 KEAP1 (0.36) KEAP1NFE2L2CA2
SCHEMBL7842624 0.75 KEAP1 (0.36) KEAP1NFE2L2CA2
SCHEMBL7828762 0.70 GRIA4 (0.31) GRIA4MITFMAPTHTTGPR55
SCHEMBL8974965 0.68 MMP9 (0.39) HTT
SCHEMBL7760688 0.68 CA2 (0.33) KEAP1NFE2L2CA2
SCHEMBL8974972 0.68 ALDH1A1 (0.37) HTT
SCHEMBL7801205 0.67 CA2 (0.32) CA2MAPTHTT
SCHEMBL7856021 0.67 ALDH1A1 (0.36) MAPTHTT
SCHEMBL96272 0.67 LTA4H (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0688831-B1 Watersoluble anthraquinone compounds, process for their manufacturing and their use as dyestuffs DYSTAR TEXTILFARBEN GMBH & CO (DE) 2001-04-04 EP disclosed
US-5610298-A Water-soluble anthraquinone compounds, preparation thereof and use thereof as dyes HOECHST AKTIENGESELLSCHAFT (DE) 1997-03-11 US disclosed
EP-0688831-A1 Watersoluble anthraquinone compounds, process for their manufacturing and their use as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1995-12-27 EP disclosed
EP-0679696-A1 Water-soluble pyridone-disazo compounds, process for their preparation and their use as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1995-11-02 EP disclosed