SCHEMBL7009850

SCHEMBL7009850

COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2c(OC(=O)NO)cnc3ccc(Br)cc23)cc1

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 18/20 0.76
MMP1 P03956 17/20 0.76
MMP13 P45452 17/20 0.76
ADAM17 P78536 7/20 0.53

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
SCHEMBL7005027 0.93 MMP1 (0.76) MMP9MMP1MMP13ADAM17
SCHEMBL7008346 0.90 MMP13 (0.78) MMP9MMP1MMP13ADAM17
SCHEMBL7007184 0.90 MMP1 (0.62) MMP9MMP1MMP13ADAM17
SCHEMBL7011084 0.86 MMP1 (1.00) MMP9MMP1MMP13ADAM17
SCHEMBL6290010 0.85 MMP1 (0.85) MMP9MMP1MMP13ADAM17
SCHEMBL7006635 0.85 MMP13 (0.78) MMP9MMP1MMP13ADAM17
SCHEMBL7015101 0.83 MMP1 (0.76) MMP9MMP1MMP13ADAM17
SCHEMBL7009764 0.83 MMP1 (0.77) MMP9MMP1MMP13ADAM17
SCHEMBL6290786 0.82 MMP1 (0.79) MMP9MMP1MMP13ADAM17
SCHEMBL7006362 0.82 MMP1 (0.53) MMP9MMP1MMP13ADAM17

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