SCHEMBL11066792

SCHEMBL11066792

Nc1cc(NC(=O)c2ccc(CS(=O)(=O)CCCl)cc2)ccc1S(=O)(=O)O.Nc1cc2cc(S(=O)(=O)O)ccc2cc1S(=O)(=O)O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 9/20 0.45
CASP6 P55212 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
NT5E P21589 1/20 0.35
TIMP3 P35625 3/20 0.35
HTR2C P28335 1/20 0.34
MCHR1 Q99705 1/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
PRMT1 Q99873 1/20 0.34
PLAU P00749 1/20 0.34

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
SCHEMBL11044421 0.93 ENPP2 (0.49) ENPP2CASP6CTDSP1MEN1KMT2A
SCHEMBL11048300 0.92 ENPP2 (0.47) ENPP2CASP6CTDSP1MEN1NPC1
SCHEMBL11055084 0.91 ENPP2 (0.40) ENPP2CASP6CTDSP1MEN1NPC1
SCHEMBL11048413 0.89 ENPP2 (0.49) ENPP2CASP6CTDSP1MEN1NPC1
SCHEMBL10541404 0.89 ENPP2 (0.41) ENPP2CASP6CTDSP1MEN1NPC1
SCHEMBL11074599 0.88 CASP6 (0.60) ENPP2CASP6CTDSP1NT5ETIMP3
SCHEMBL11049888 0.86 ENPP2 (0.52) ENPP2CASP6CTDSP1MEN1KMT2A
SCHEMBL11051559 0.86 ENPP2 (0.52) ENPP2CASP6CTDSP1MEN1NPC1
SCHEMBL11067416 0.86 ENPP2 (0.37) ENPP2CASP6CTDSP1TIMP3
SCHEMBL11046935 0.85 ENPP2 (0.42) ENPP2CASP6CTDSP1MEN1NPC1

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