SCHEMBL7006362

SCHEMBL7006362

COc1ccc(S(=O)(=O)N(C)c2c(OC(=O)NO)cnc3ccc(CCc4ccccc4)cc23)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 12/20 0.53
MMP13 P45452 12/20 0.53
MMP9 P14780 11/20 0.53
ADAM17 P78536 6/20 0.45
BMP1 P13497 3/20 0.44
MMP3 P08254 1/20 0.44
LMNA P02545 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
MMP2 P08253 1/20 0.42
CA9 Q16790 1/20 0.42
KEAP1 Q14145 2/20 0.42
NFE2L2 Q16236 2/20 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
SCHEMBL7010431 0.86 MMP1 (0.68) MMP1MMP13MMP9ADAM17
SCHEMBL7355097 0.84 MMP1 (0.56) MMP1MMP13MMP9ADAM17LMNA
Hydroxyamine SCHEMBL7472830 0.83 MMP1 (0.54) MMP1MMP13MMP9ADAM17LMNA
SCHEMBL7009850 0.82 MMP9 (0.76) MMP1MMP13MMP9ADAM17
SCHEMBL7472837 0.81 MMP1 (0.53) MMP1MMP13MMP9ADAM17LMNA
SCHEMBL7008346 0.79 MMP13 (0.78) MMP1MMP13MMP9ADAM17
SCHEMBL7007184 0.79 MMP1 (0.62) MMP1MMP13MMP9ADAM17
SCHEMBL7005027 0.77 MMP1 (0.76) MMP1MMP13MMP9ADAM17
SCHEMBL7004527 0.76 MMP1 (0.51) MMP1MMP13MMP9ADAM17BMP1
SCHEMBL7011701 0.76 MMP1 (0.75) 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