SCHEMBL4698467

SCHEMBL4698467

O=C1C[C@@H](NS(=O)(=O)c2ccc(-c3ccccc3)cc2)C(=O)N1OCc1ccccc1.O=C1C[C@H](NS(=O)(=O)c2ccc(-c3ccccc3)cc2)C(=O)N1O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F10 P00742 8/20 0.42
MMP2 P08253 8/20 0.39
MMP9 P14780 7/20 0.39
ADAMTS4 O75173 1/20 0.38
MMP1 P03956 2/20 0.38
MMP3 P08254 2/20 0.38
MMP13 P45452 2/20 0.38
MMP14 P50281 2/20 0.38
MMP8 P22894 1/20 0.38
MMP12 P39900 1/20 0.38
MMP16 P51512 1/20 0.38
ADAM17 P78536 1/20 0.38
F2 P00734 1/20 0.37
BCL2L1 Q07817 1/20 0.36
MCL1 Q07820 1/20 0.36
KCNA5 P22460 1/20 0.36
PARL Q9H300 1/20 0.36

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
SCHEMBL5882183 0.94 F10 (0.44) F10MMP2MMP9ADAMTS4MMP1
Hydrochloric Acid SCHEMBL4703963 0.87 F10 (0.42) F10MMP2MMP9ADAMTS4MMP1
SCHEMBL4702692 0.87 MMP2 (0.46) F10MMP2MMP9MMP1MMP3
SCHEMBL4699851 0.86 MMP13 (0.42) MMP2MMP9MMP1MMP3MMP13
SCHEMBL14040501 0.86 MMP2 (0.47) F10MMP2MMP9MMP1MMP3
SCHEMBL5881800 0.86 MMP2 (0.47) F10MMP2MMP9MMP1MMP3
SCHEMBL4700809 0.80 MMP2 (0.45) F10MMP2MMP9MMP1MMP3
SCHEMBL5882266 0.79 ALDH1A1 (0.44) MMP9MMP1MMP3MMP13MMP8
SCHEMBL4700381 0.75 SLC18A3 (0.37) MMP3MCL1
SCHEMBL14040569 0.70 F10 (0.52) F10MMP2MMP9F2

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