SCHEMBL7828787

SCHEMBL7828787

O=S(=O)(CCCl)CCC[N]c1ccc(Cl)cc1

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPK1 P28482 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30
MEN1 O00255 1/20 0.30
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
SCHEMBL7840304 0.90 ALDH1A1 (0.33) ALDH1A1CYP3A4MAPK1CA12CA1
SCHEMBL7756158 0.85 CA2 (0.33) CA2
SCHEMBL7803208 0.83 POLB (0.40) ALDH1A1MEN1KMT2A
SCHEMBL7840826 0.81 PTGS2 (0.39) ALDH1A1CA12CA1CA2CA9
SCHEMBL7840761 0.80 KEAP1 (0.36) CA2
SCHEMBL7842624 0.79 KEAP1 (0.36) CA2
SCHEMBL7840012 0.75 CA12 (0.33) ALDH1A1CYP3A4MAPK1CA12CA1
SCHEMBL7801205 0.74 CA2 (0.32) ALDH1A1CA2MEN1KMT2A
SCHEMBL10990336 0.73 LMNA (0.40) ALDH1A1
SCHEMBL7803206 0.72 POLB (0.42) ALDH1A1MEN1KMT2A

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
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