SCHEMBL5067849

SCHEMBL5067849

COC(=O)C(NSc1ccc(-c2cccc(CNC(=O)c3nc4scc(C)c4c(=O)[nH]3)c2)cc1)C(C)C

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 19/20 0.58
MMP2 P08253 10/20 0.58
MMP8 P22894 9/20 0.58
MMP10 P09238 9/20 0.58
MMP3 P08254 3/20 0.46
MMP1 P03956 2/20 0.46
MMP7 P09237 2/20 0.46
MMP9 P14780 2/20 0.46
MMP12 P39900 2/20 0.46
MMP14 P50281 2/20 0.46

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
SCHEMBL5067851 1.00 MMP13 (0.58) MMP13MMP2MMP8MMP10MMP3
SCHEMBL688588 0.86 MMP13 (0.62) MMP13MMP2MMP8MMP10MMP3
SCHEMBL688587 0.86 MMP13 (0.62) MMP13MMP2MMP8MMP10MMP3
SCHEMBL689440 0.80 MMP13 (0.72) MMP13MMP2MMP8MMP10MMP3
SCHEMBL689439 0.80 MMP13 (0.72) MMP13MMP2MMP8MMP10MMP3
SCHEMBL689478 0.79 MMP2 (0.72) MMP13MMP2MMP8MMP10MMP3
SCHEMBL4934733 0.77 MMP13 (0.72) MMP13MMP2MMP8MMP10
SCHEMBL4373943 0.77 MMP13 (0.79) MMP13MMP2MMP8MMP10
SCHEMBL689613 0.75 MMP13 (0.63) MMP13MMP2MMP8MMP10MMP3
SCHEMBL10290012 0.75 MMP13 (0.76) MMP13MMP2MMP8MMP10

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-1953148-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2008-08-06 EP disclosed