SCHEMBL11047879

SCHEMBL11047879

CC(=O)Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(O)c12.Nc1cc(S(=O)(=O)O)c2cc(NC(=O)c3ccc(CS(=O)(=O)CCCl)cc3)cc(S(=O)(=O)O)c2c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 5/20 0.43
APEX1 P27695 1/20 0.43
CASP6 P55212 2/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
TIMP3 P35625 4/20 0.36
CA2 P00918 1/20 0.34
CA3 P07451 1/20 0.34
NT5E P21589 2/20 0.33
CYP1A2 P05177 2/20 0.33
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
USP2 O75604 2/20 0.31
RECQL P46063 2/20 0.31
HSD17B10 Q99714 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
ENPP3 O14638 1/20 0.31
ENTPD3 O75355 1/20 0.31
NR1I2 O75469 1/20 0.31
PRKD3 O94806 1/20 0.31
TDP2 O95551 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
SCHEMBL11054880 0.89 ENPP2 (0.50) ENPP2APEX1CASP6CTDSP1TIMP3
SCHEMBL11060221 0.86 ENPP2 (0.48) ENPP2APEX1CASP6CTDSP1TIMP3
SCHEMBL11067043 0.84 APEX1 (0.48) ENPP2APEX1CASP6CTDSP1TIMP3
SCHEMBL11087743 0.83 APEX1 (0.51) ENPP2APEX1CASP6CTDSP1TIMP3
SCHEMBL11050005 0.82 APEX1 (0.53) ENPP2APEX1CASP6CTDSP1TIMP3
SCHEMBL11084677 0.81 APEX1 (0.51) ENPP2APEX1CASP6CTDSP1TIMP3
SCHEMBL9145883 0.81 APEX1 (0.64) ENPP2APEX1CASP6CTDSP1TIMP3
SCHEMBL11058317 0.80 APEX1 (0.57) ENPP2APEX1CASP6CTDSP1TIMP3
SCHEMBL11057878 0.80 APEX1 (0.55) ENPP2APEX1CASP6CTDSP1TIMP3
SCHEMBL11047493 0.80 CASP6 (0.49) ENPP2APEX1CASP6CTDSP1TIMP3

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