SCHEMBL11062328

SCHEMBL11062328

Nc1c(S(=O)(=O)O)cc(NC(=O)c2ccc(CS(=O)(=O)CCCl)cc2)cc1S(=O)(=O)O.O=C(Nc1ccc2cc(S(=O)(=O)O)cc(O)c2c1)c1ccc(CS(=O)(=O)CCCl)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 3/20 0.53
CTDSP1 Q9GZU7 1/20 0.53
ENPP2 Q13822 4/20 0.50
NT5E P21589 2/20 0.50
NSD2 O96028 3/20 0.41
DUSP3 P51452 2/20 0.41
PTPN5 P54829 2/20 0.41
PTPN11 Q06124 2/20 0.41
CASP7 P55210 1/20 0.41
PRMT1 Q99873 1/20 0.41
TIMP3 P35625 2/20 0.36
APEX1 P27695 1/20 0.36
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
ING2 Q9H160 1/20 0.34
CA9 Q16790 2/20 0.33
CA12 O43570 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33

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
SCHEMBL11046439 0.93 CASP6 (0.55) CASP6CTDSP1ENPP2NT5ENSD2
SCHEMBL11067641 0.90 CASP6 (0.54) CASP6CTDSP1ENPP2NT5ENSD2
SCHEMBL11058672 0.90 CASP6 (0.62) CASP6CTDSP1ENPP2NT5ENSD2
SCHEMBL11047493 0.88 CASP6 (0.49) CASP6CTDSP1ENPP2NT5ENSD2
SCHEMBL11049986 0.87 CASP6 (0.60) CASP6CTDSP1ENPP2NT5ENSD2
SCHEMBL11051014 0.86 CASP6 (0.65) CASP6CTDSP1ENPP2NT5ENSD2
SCHEMBL11052975 0.86 CASP6 (0.47) CASP6CTDSP1ENPP2NT5ENSD2
SCHEMBL11074599 0.85 CASP6 (0.60) CASP6CTDSP1ENPP2NT5ENSD2
SCHEMBL11049195 0.85 CASP6 (0.49) CASP6CTDSP1ENPP2NT5ENSD2
SCHEMBL11071654 0.84 CASP6 (0.71) CASP6CTDSP1ENPP2NT5ENSD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4473498-A Water-soluble, fiber-reactive organic dyestuffs containing a β-chloro-ethylsulfonyl-methyl-benzoic acid amide group HOECHST AKTIENGESELLSCHAFT (DE) 1984-09-25 US disclosed