SCHEMBL6401779

SCHEMBL6401779

CS(=O)(=O)Nc1ccc(S([NH])(=O)=O)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.64
CA1 P00915 1/20 0.64
CA2 P00918 1/20 0.64
CA9 Q16790 1/20 0.64
ALDH1A1 P00352 4/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
MAPT P10636 1/20 0.56
CYP2C9 P11712 1/20 0.56
KEAP1 Q14145 1/20 0.56
LMNA P02545 3/20 0.55
KDM4E B2RXH2 1/20 0.55
HPGD P15428 1/20 0.55
HTT P42858 1/20 0.55
KIF11 P52732 3/20 0.53
MAPK1 P28482 2/20 0.53
GAA P10253 1/20 0.53
NPSR1 Q6W5P4 1/20 0.50
PGR P06401 1/20 0.48
NR3C2 P08235 2/20 0.47
LOX P28300 1/20 0.45

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
SCHEMBL12054668 0.83 KEAP1 (0.75) CA12CA1CA2CA9ALDH1A1
SCHEMBL6839436 0.83 CA12 (0.64) CA12CA1CA2CA9ALDH1A1
SCHEMBL28014642 0.82 CA12 (0.69) CA12CA1CA2CA9ALDH1A1
SCHEMBL6401783 0.78 CA2 (1.00) CA12CA1CA2CA9ALDH1A1
SCHEMBL8415404 0.78 CA12 (0.64) CA12CA1CA2CA9ALDH1A1
SCHEMBL15771505 0.78 KIF11 (0.62) CA12CA1CA2CA9ALDH1A1
SCHEMBL3315266 0.77 KEAP1 (0.60) CA12CA1CA2CA9ALDH1A1
SCHEMBL31041151 0.77 KIF11 (0.79) CA12CA1CA2CA9ALDH1A1
SCHEMBL1765244 0.76 KEAP1 (0.53) CA12CA1CA2CA9ALDH1A1
Potassium Ion SCHEMBL9806727 0.76 CA12 (0.61) CA12CA1CA2CA9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050130251-A1 Reagent for determination of hydrogen peroxide KYOWA MEDEX CO., LTD. (JP) 2005-06-16 US disclosed
EP-1424554-A1 REAGENT FOR DETERMINING HYDROGEN PEROXIDE KYOWA MEDEX CO., LTD. (JP) 2004-06-02 EP disclosed