SCHEMBL7828762

SCHEMBL7828762

CC(C[N]c1ccccc1)CS(=O)(=O)CCCl

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRIA4 P48058 1/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL7841234 0.82
SCHEMBL7801205 0.74 CA2 (0.32) ALDH1A1LMNAMAPTHTT
SCHEMBL7759858 0.73 CA12 (0.37) GRIA4ALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL7756158 0.71 CA2 (0.33)
SCHEMBL10391715 0.71 ALDH1A1 (0.33) ALDH1A1LMNATP53SMN1; SMN2MITF
SCHEMBL7840761 0.70 KEAP1 (0.36)
SCHEMBL7800938 0.70 KEAP1 (0.31) GRIA4MITFMAPTHTTGPR55
SCHEMBL7842624 0.69 KEAP1 (0.36)
SCHEMBL7837586 0.69 MMP1 (0.38) SMN1; SMN2
SCHEMBL5140500 0.66 ALDH1A1 (0.39) ALDH1A1MITFMAPTHTTGPR55

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-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-0675172-A2 Water-solable azo compounds, process for their preparation and their use as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1995-10-04 EP 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