SCHEMBL11054028

SCHEMBL11054028

Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(O)c12.Nc1ccc(NC(=O)c2ccc(CS(=O)(=O)CCCl)cc2)cc1S(=O)(=O)O.Nc1ccc(S(=O)(=O)O)cc1S(=O)(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 4/20 0.53
CASP6 P55212 2/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
NT5E P21589 2/20 0.43
APEX1 P27695 1/20 0.40
TIMP3 P35625 2/20 0.37
PRMT1 Q99873 1/20 0.35
CYP1A2 P05177 1/20 0.35
PHLPP2 Q6ZVD8 1/20 0.34
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
SUMO2 P61956 1/20 0.33
SUMO1 P63165 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP2 Q9HC62 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 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
SCHEMBL11047462 0.96 CASP6 (0.51) ENPP2CASP6CTDSP1NT5EAPEX1
SCHEMBL11050881 0.92 ENPP2 (0.49) ENPP2CASP6CTDSP1NT5EAPEX1
SCHEMBL11049888 0.92 ENPP2 (0.52) ENPP2CASP6CTDSP1NT5EAPEX1
SCHEMBL11049986 0.90 CASP6 (0.60) ENPP2CASP6CTDSP1NT5EAPEX1
SCHEMBL11044421 0.90 ENPP2 (0.49) ENPP2CASP6CTDSP1NT5EAPEX1
SCHEMBL11044357 0.90 CASP6 (0.51) ENPP2CASP6CTDSP1NT5EAPEX1
SCHEMBL11049641 0.89 ENPP2 (0.46) ENPP2CASP6CTDSP1NT5EAPEX1
SCHEMBL11054880 0.89 ENPP2 (0.50) ENPP2CASP6CTDSP1NT5EAPEX1
SCHEMBL11048413 0.88 ENPP2 (0.49) ENPP2CASP6CTDSP1NT5EAPEX1
SCHEMBL11050559 0.88 ENPP2 (0.45) ENPP2CASP6CTDSP1NT5EAPEX1

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