SCHEMBL7013036

SCHEMBL7013036

C=Cc1cccc2c(N(CC)S(=O)(=O)c3ccc(OC)cc3)c(OC(=O)NO)cnc12

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 17/20 0.64
MMP13 P45452 17/20 0.64
MMP9 P14780 16/20 0.64
ADAM17 P78536 15/20 0.64
KEAP1 Q14145 3/20 0.42
NFE2L2 Q16236 3/20 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
SCHEMBL7011424 0.86 MMP1 (0.82) MMP1MMP13MMP9ADAM17
SCHEMBL6290086 0.84 MMP1 (0.66) MMP1MMP13MMP9ADAM17KEAP1
SCHEMBL6290760 0.81 MMP1 (0.63) MMP1MMP13MMP9ADAM17KEAP1
SCHEMBL7009764 0.79 MMP1 (0.77) MMP1MMP13MMP9ADAM17
SCHEMBL7015101 0.78 MMP1 (0.76) MMP1MMP13MMP9ADAM17
SCHEMBL7011701 0.78 MMP1 (0.75) MMP1MMP13MMP9ADAM17KEAP1
SCHEMBL7012090 0.76 MMP13 (0.79) MMP1MMP13MMP9ADAM17
SCHEMBL7017790 0.76 MMP1 (0.77) MMP1MMP13MMP9ADAM17
SCHEMBL7008539 0.76 MMP13 (0.77) MMP1MMP13MMP9ADAM17
SCHEMBL7004527 0.76 MMP1 (0.51) MMP1MMP13MMP9ADAM17KEAP1

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-1021413-B1 THE PREPARATION AND USE OF ORTHO-SULFONAMIDO BICYCLIC HETEROARYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASE AND TACE INHIBITORS WYETH CORP (US) 2003-06-11 EP claimed