SCHEMBL6424729

SCHEMBL6424729

COc1ccc(S(=O)(=O)CC#CN)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 6/20 0.50
PKM P14618 3/20 0.50
MMP8 P22894 2/20 0.50
HTT P42858 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MMP1 P03956 4/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
ALDH1A1 P00352 2/20 0.44
PTGS2 P35354 1/20 0.44
F2 P00734 1/20 0.44
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
GAA P10253 2/20 0.43
MMP2 P08253 1/20 0.43

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
SCHEMBL6422563 0.79 PKM (0.53) MMP13PKMMMP8HTTNPSR1
SCHEMBL4071220 0.79 PKM (0.54) MMP13PKMMMP8HTTNPSR1
SCHEMBL7937531 0.76 ALDH1A1 (0.51) MMP13PKMMMP8HTTNPSR1
SCHEMBL6708168 0.75 PKM (0.64) MMP13PKMMMP8HTTNPSR1
SCHEMBL3250372 0.75 PKM (0.64) MMP13PKMMMP8HTTNPSR1
SCHEMBL9705169 0.74 PKM (0.61) MMP13PKMMMP8HTTNPSR1
SCHEMBL14468640 0.72 PKM (0.59) MMP13PKMMMP8HTTNPSR1
SCHEMBL11797251 0.72 PKM (0.59) MMP13PKMMMP8HTTNPSR1
SCHEMBL9109608 0.72 PKM (0.59) MMP13PKMMMP8HTTNPSR1
SCHEMBL9703007 0.72 HTT (0.66) MMP13PKMMMP8HTTNPSR1

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
EP-0929519-B1 BETA-SULFONYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASES INHIBITORS UPJOHN CO (US) 2005-02-23 EP claimed