SCHEMBL7006372

SCHEMBL7006372

Cc1nc2ccsc2c(N(C)S(=O)(=O)c2ccc(Oc3ccncc3)cc2)c1OC(=O)NO

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 14/20 0.51
MMP1 P03956 14/20 0.51
MMP9 P14780 12/20 0.51
ADAM17 P78536 9/20 0.48
MMP3 P08254 3/20 0.35
MMP7 P09237 2/20 0.35
MMP2 P08253 2/20 0.35
MMP8 P22894 1/20 0.35
MMP14 P50281 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL7009421 0.83 MMP9 (0.48) MMP13MMP1MMP9ADAM17MMP2
SCHEMBL7011337 0.80 MMP9 (0.45) MMP13MMP1MMP9ADAM17MMP2
SCHEMBL7014631 0.72 MMP13 (0.52) MMP13MMP1MMP9ADAM17MMP2
SCHEMBL7006547 0.71 MMP9 (0.54) MMP13MMP1MMP9ADAM17
SCHEMBL7013255 0.70 MMP13 (0.58) MMP13MMP1MMP9ADAM17MMP2
SCHEMBL7009856 0.69 MMP9 (0.55) MMP13MMP1MMP9ADAM17MMP3
SCHEMBL7012919 0.69 MMP9 (0.76) MMP13MMP1MMP9ADAM17ALDH1A1
SCHEMBL7012226 0.68 MMP9 (0.48) MMP13MMP1MMP9ADAM17MMP2
SCHEMBL7009419 0.64 KMT2A (0.38) MMP1ALDH1A1MEN1KMT2A
SCHEMBL7010946 0.63 MMP13 (0.59) MMP13MMP1MMP9ADAM17MMP3

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