SCHEMBL11048413

SCHEMBL11048413

Nc1ccc(NC(=O)c2ccc(CS(=O)(=O)CCCl)cc2)cc1S(=O)(=O)O.O=S(=O)(O)c1ccc2cc(O)c(S(=O)(=O)O)cc2c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 7/20 0.49
CTDSP1 Q9GZU7 2/20 0.45
CASP6 P55212 1/20 0.45
NT5E P21589 1/20 0.38
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
TIMP3 P35625 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAPT P10636 1/20 0.33
PRMT1 Q99873 1/20 0.33
HTR2C P28335 1/20 0.33
MCHR1 Q99705 1/20 0.33
APEX1 P27695 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
SCHEMBL11049986 0.89 CASP6 (0.60) ENPP2CTDSP1CASP6NT5ECA1
SCHEMBL11066792 0.89 ENPP2 (0.45) ENPP2CTDSP1CASP6NT5ECA1
SCHEMBL11054028 0.88 ENPP2 (0.53) ENPP2CTDSP1CASP6NT5ECA1
SCHEMBL11044421 0.86 ENPP2 (0.49) ENPP2CTDSP1CASP6NT5EMEN1
SCHEMBL11047462 0.85 CASP6 (0.51) ENPP2CTDSP1CASP6NT5ECA1
SCHEMBL11067641 0.85 CASP6 (0.54) ENPP2CTDSP1CASP6NT5ECA1
SCHEMBL11046935 0.85 ENPP2 (0.42) ENPP2CTDSP1CASP6NT5EMEN1
SCHEMBL11048300 0.85 ENPP2 (0.47) ENPP2CTDSP1CASP6NT5ECA1
SCHEMBL11054880 0.83 ENPP2 (0.50) ENPP2CTDSP1CASP6NT5ECA2
SCHEMBL11062328 0.83 CASP6 (0.53) ENPP2CTDSP1CASP6NT5ECA1

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