SCHEMBL6400945

SCHEMBL6400945

CS(=O)(=O)Nc1cccc(S(=O)(=O)Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.53
ALDH1A1 P00352 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
POLB P06746 1/20 0.50
KIF11 P52732 1/20 0.46
NR3C1 P04150 1/20 0.45
BRD4 O60885 2/20 0.44
HSD17B1 P14061 1/20 0.44
HSD17B2 P37059 1/20 0.44
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CYP19A1 P11511 1/20 0.43
HTT P42858 1/20 0.43
CA2 P00918 2/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA9 Q16790 1/20 0.43
NPC1 O15118 1/20 0.42
JAK2 O60674 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL28014640 0.85 KEAP1 (0.57) KEAP1ALDH1A1SMN1; SMN2POLBKIF11
SCHEMBL698855 0.82 KEAP1 (0.70) KEAP1ALDH1A1SMN1; SMN2POLBKIF11
SCHEMBL1765247 0.81 CA2 (0.63) KEAP1ALDH1A1SMN1; SMN2POLBCA2
SCHEMBL1765244 0.81 KEAP1 (0.53) KEAP1ALDH1A1SMN1; SMN2POLBKIF11
SCHEMBL12110073 0.81 ALDH1A1 (0.57) KEAP1ALDH1A1SMN1; SMN2POLBKIF11
SCHEMBL29899154 0.81 CA2 (0.63) KEAP1ALDH1A1SMN1; SMN2POLBCA2
SCHEMBL19220609 0.81 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2HSD17B10TDP1CYP19A1
SCHEMBL28015252 0.80 KEAP1 (0.62) KEAP1ALDH1A1SMN1; SMN2POLBNR3C1
SCHEMBL14414987 0.77 POLB (0.50) KEAP1ALDH1A1SMN1; SMN2POLBKIF11
SCHEMBL2317675 0.77 PTGS1 (0.57) KEAP1ALDH1A1SMN1; SMN2POLBKIF11

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