SCHEMBL7355097

SCHEMBL7355097

COc1ccc(S(=O)(=O)N(C)c2c(C(=O)O)cnc3ccc(CCc4ccccc4)cc23)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 9/20 0.56
MMP13 P45452 9/20 0.56
MMP9 P14780 8/20 0.56
ADAM17 P78536 5/20 0.49
KEAP1 Q14145 3/20 0.47
NFE2L2 Q16236 2/20 0.47
LMNA P02545 2/20 0.46
TAS2R14 Q9NYV8 2/20 0.46
C1R P00736 1/20 0.46
PTGES O14684 1/20 0.45
TAS2R8 Q9NYW2 1/20 0.45
CXCR3 P49682 1/20 0.45
TP53 P04637 2/20 0.45
THRB P10828 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
Hydroxyamine SCHEMBL7472830 0.98 MMP1 (0.54) MMP1MMP13MMP9ADAM17KEAP1
SCHEMBL7472837 0.91 MMP1 (0.53) MMP1MMP13MMP9ADAM17KEAP1
SCHEMBL7010431 0.91 MMP1 (0.68) MMP1MMP13MMP9ADAM17
SCHEMBL7006362 0.84 MMP1 (0.53) MMP1MMP13MMP9ADAM17KEAP1
SCHEMBL6293228 0.83 MMP1 (0.49) MMP1MMP13MMP9ADAM17KEAP1
Hydroxyamine SCHEMBL7472827 0.81 MMP1 (0.47) MMP1MMP13MMP9ADAM17KEAP1
SCHEMBL6290010 0.79 MMP1 (0.85) MMP1MMP13MMP9ADAM17
SCHEMBL6290541 0.76 MMP13 (0.85) MMP1MMP13MMP9ADAM17
SCHEMBL6290574 0.76 MMP1 (0.67) MMP1MMP13MMP9ADAM17
SCHEMBL6289453 0.76 MAPT (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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1021413-A1 THE PREPARATION AND USE OF ORTHO-SULFONAMIDO BICYCLIC HETEROARYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASE AND TACE INHIBITORS American Cyanamid Company (US) 2000-07-26 EP disclosed
WO-1999018076-A1 THE PREPARATION AND USE OF ORTHO-SULFONAMIDO BICYCLIC HETEROARYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASE AND TACE INHIBITORS AMERICAN CYANAMID COMPANY (US) 1999-04-15 WO disclosed