SCHEMBL7839192

SCHEMBL7839192

C=CS(=O)(=O)CC[N]c1ccc(Cl)cc1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPK1 P28482 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CA3 P07451 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA5A P35218 1/20 0.31
CA7 P43166 1/20 0.31
CA13 Q8N1Q1 1/20 0.31
CA14 Q9ULX7 1/20 0.31
CA5B Q9Y2D0 1/20 0.31

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
SCHEMBL7840012 0.90 CA12 (0.33) CA12CA1CA2CA9ALDH1A1
SCHEMBL7843604 0.82 POLB (0.35) CA2ALDH1A1
SCHEMBL7843599 0.81 TDP1 (0.46) ALDH1A1MAPK1MEN1KMT2A
SCHEMBL7843123 0.79 APLNR (0.44) CA12CA1CA2CA9ALDH1A1
SCHEMBL7840304 0.74 ALDH1A1 (0.33) CA12CA1CA2CA9ALDH1A1
SCHEMBL7760688 0.72 CA2 (0.33) CA2
SCHEMBL7839760 0.72 TDP1 (0.43) ALDH1A1MEN1KMT2A
SCHEMBL7836795 0.70 APLNR (0.42) CA12CA1CA2CA9ALDH1A1
SCHEMBL7836779 0.69 CA1 (0.39) CA12CA1CA2CA9ALDH1A1
SCHEMBL11328330 0.68 KMT2A (0.44) ALDH1A1CYP3A4MAPK1KDM4EMEN1

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-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