SCHEMBL689393

SCHEMBL689393

Cc1csc2nc(C(=O)NCc3cccc(CN(C(=O)O)C(C)(C)C)c3)[nH]c(=O)c12

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 20/20 0.67
MMP8 P22894 7/20 0.67
MMP2 P08253 6/20 0.67
MMP10 P09238 5/20 0.67

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
SCHEMBL4373943 0.87 MMP13 (0.79) MMP13MMP8MMP2MMP10
SCHEMBL10290012 0.84 MMP13 (0.76) MMP13MMP8MMP2MMP10
SCHEMBL10289587 0.83 MMP13 (0.70) MMP13MMP8MMP2MMP10
Hydrochloric Acid SCHEMBL689705 0.83 MMP13 (0.75) MMP13MMP8MMP2MMP10
SCHEMBL688986 0.82 MMP13 (0.73) MMP13MMP8MMP2MMP10
SCHEMBL688841 0.81 MMP13 (0.72) MMP13MMP8MMP2MMP10
SCHEMBL4934733 0.80 MMP13 (0.72) MMP13MMP8MMP2MMP10
SCHEMBL689779 0.77 MMP13 (0.64) MMP13MMP8MMP2MMP10
SCHEMBL689477 0.77 MMP13 (0.72) MMP13MMP8MMP2MMP10
SCHEMBL689176 0.77 MMP13 (0.74) MMP13MMP8MMP2MMP10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1953148-B1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2012-02-29 EP disclosed
US-7915267-B2 Heterocyclic amide compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-29 US disclosed