SCHEMBL7010946

SCHEMBL7010946

CN(c1c(OC(=O)NO)cnc2c1c(-c1ccccc1)nn2C)S(=O)(=O)c1ccc(Oc2ccncc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 16/20 0.59
MMP9 P14780 14/20 0.59
MMP1 P03956 13/20 0.59
ADAM17 P78536 12/20 0.49
NUDT14 O95848 1/20 0.37
NUDT5 Q9UKK9 1/20 0.37
MMP3 P08254 1/20 0.34
MMP7 P09237 1/20 0.34
MAPK13 O15264 1/20 0.34
RAF1 P04049 1/20 0.34

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
SCHEMBL7012919 0.88 MMP9 (0.76) MMP13MMP9MMP1ADAM17MAPK13
SCHEMBL7005730 0.85 MMP9 (0.64) MMP13MMP9MMP1ADAM17NUDT14
Potassium Ion SCHEMBL7014935 0.84 MMP9 (0.62) MMP13MMP9MMP1ADAM17NUDT14
SCHEMBL7008512 0.81 MMP9 (0.61) MMP13MMP9MMP1ADAM17
SCHEMBL7006515 0.80 MMP9 (0.76) MMP13MMP9MMP1ADAM17MMP3
SCHEMBL7009856 0.78 MMP9 (0.55) MMP13MMP9MMP1ADAM17MMP3
SCHEMBL7011475 0.78 MMP1 (0.60) MMP13MMP9MMP1ADAM17
SCHEMBL7006547 0.76 MMP9 (0.54) MMP13MMP9MMP1ADAM17
SCHEMBL7006037 0.73 MMP9 (0.82) MMP13MMP9MMP1ADAM17
SCHEMBL7014631 0.73 MMP13 (0.52) MMP13MMP9MMP1ADAM17

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