SCHEMBL7837641

SCHEMBL7837641

C=CS(=O)(=O)CCC[N]c1ccccc1C

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
SUMO2 P61956 1/20 0.33
SUMO1 P63165 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP3 Q9H4L4 1/20 0.33
SENP2 Q9HC62 1/20 0.33
SENP1 Q9P0U3 1/20 0.33
CYP2C9 P11712 1/20 0.33
MAPT P10636 3/20 0.32
ALDH1A1 P00352 2/20 0.32
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
PKM P14618 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
KMT2A Q03164 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
SCHEMBL7840794 0.91 CYP2C9 (0.34) KEAP1NFE2L2SUMO2SUMO1SENP7
SCHEMBL7760688 0.78 CA2 (0.33) KEAP1NFE2L2
SCHEMBL8703221 0.76 KEAP1 (0.34) KEAP1NFE2L2SUMO2SUMO1SENP7
SCHEMBL7759876 0.70 MAPT (0.53) KEAP1NFE2L2MAPTALDH1A1RAB9A
SCHEMBL4791497 0.70 ALPL (0.38) CYP2C9ALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL7837634 0.69 KEAP1 (0.33) KEAP1NFE2L2SUMO2SUMO1SENP7
SCHEMBL7840796 0.69 MAPT (0.56) KEAP1NFE2L2MAPTALDH1A1RAB9A
SCHEMBL7840012 0.69 CA12 (0.33) ALDH1A1
SCHEMBL7836795 0.69 APLNR (0.42) MAPTALDH1A1PKMSMN1; SMN2HTT
SCHEMBL5982449 0.68 TSHR (0.41) CYP2C9MAPTALDH1A1RAB9ANPC1

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 5 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-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-0629667-B1 Water-soluble fiber-reactive dyes, process for their preparation and the use thereof HOECHST AG (DE) 1998-02-25 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