SCHEMBL7010378

SCHEMBL7010378

O=C(NO)Oc1cnc2cc(C(F)(F)F)ccc2c1N(Cc1cccnc1)S(=O)(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 18/20 0.77
MMP1 P03956 17/20 0.77
MMP9 P14780 17/20 0.77
ADAM17 P78536 13/20 0.77
TRPM8 Q7Z2W7 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
SCHEMBL7015826 0.91 MMP9 (0.79) MMP13MMP1MMP9ADAM17
SCHEMBL7009676 0.87 MMP1 (1.00) MMP13MMP1MMP9ADAM17
SCHEMBL7006635 0.86 MMP13 (0.78) MMP13MMP1MMP9ADAM17
Hydroxyamine SCHEMBL7563754 0.84 MMP1 (0.83) MMP13MMP1MMP9ADAM17TRPM8
SCHEMBL7563755 0.84 MMP1 (0.80) MMP13MMP1MMP9ADAM17TRPM8
SCHEMBL7013919 0.82 MMP1 (0.77) MMP13MMP1MMP9ADAM17TRPM8
SCHEMBL7007248 0.82 MMP1 (0.55) MMP13MMP1MMP9ADAM17
SCHEMBL7008346 0.80 MMP13 (0.78) MMP13MMP1MMP9ADAM17
SCHEMBL7012284 0.79 MMP1 (0.84) MMP13MMP1MMP9ADAM17
SCHEMBL7010014 0.79 MMP9 (1.00) MMP13MMP1MMP9ADAM17

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