SCHEMBL14040501

SCHEMBL14040501

O=C1C[C@@H](NS(=O)(=O)c2ccc(-c3ccccc3)cc2)C(=O)N1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 7/20 0.47
MMP9 P14780 7/20 0.47
MMP1 P03956 3/20 0.47
MMP3 P08254 2/20 0.47
MMP13 P45452 2/20 0.47
MMP14 P50281 2/20 0.47
MMP12 P39900 2/20 0.47
MMP8 P22894 1/20 0.47
MMP16 P51512 1/20 0.47
ADAM17 P78536 1/20 0.47
F10 P00742 3/20 0.44
UCHL1 P09936 3/20 0.43
USP30 Q70CQ3 3/20 0.43
PARL Q9H300 2/20 0.42
CA12 O43570 2/20 0.42
CA9 Q16790 1/20 0.42
GAA P10253 2/20 0.41
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL5881800 1.00 MMP2 (0.47) MMP2MMP9MMP1MMP3MMP13
SCHEMBL4698467 0.86 F10 (0.42) MMP2MMP9MMP1MMP3MMP13
SCHEMBL14040569 0.82 F10 (0.52) MMP2MMP9F10KMT2A
SCHEMBL4701825 0.78 F10 (0.54) MMP2MMP9MMP1MMP3MMP13
SCHEMBL4756093 0.77 MMP2 (0.50) MMP2MMP9MMP1MMP3MMP13
SCHEMBL5882183 0.77 F10 (0.44) MMP2MMP9MMP1MMP3MMP13
SCHEMBL4703108 0.75 ALDH1A1 (0.48) MMP2MMP9MMP1MMP3MMP13
SCHEMBL14040571 0.75 ALDH1A1 (0.48) MMP2MMP9MMP1MMP3MMP13
SCHEMBL4703238 0.75 ALDH1A1 (0.48) MMP2MMP9MMP1MMP3MMP13
Hydrochloric Acid SCHEMBL4703963 0.71 F10 (0.42) MMP2MMP9MMP1MMP3MMP13

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-1444202-B1 NOVEL METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2008-10-15 EP disclosed