SCHEMBL689696

SCHEMBL689696

Cc1ccc2nc(C(=O)NCc3cccc(OCCSc4cc[nH]n4)c3)[nH]c(=O)c2c1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 20/20 0.61
MMP2 P08253 3/20 0.61
MMP10 P09238 3/20 0.61
MMP8 P22894 3/20 0.61

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
SCHEMBL1476992 0.88 MMP13 (0.61) MMP13MMP2MMP10MMP8
SCHEMBL4930771 0.81 MMP13 (0.79) MMP13
SCHEMBL689697 0.81 MMP13 (0.57) MMP13MMP2MMP10MMP8
SCHEMBL689160 0.79 MMP13 (0.70) MMP13MMP2MMP10MMP8
SCHEMBL690266 0.78 MMP13 (0.61) MMP13MMP2MMP10MMP8
SCHEMBL689410 0.78 MMP13 (0.61) MMP13MMP2MMP10MMP8
SCHEMBL688066 0.78 MMP13 (0.61) MMP13MMP2MMP10MMP8
SCHEMBL688649 0.78 MMP13 (0.72) MMP13MMP2MMP10MMP8
SCHEMBL689394 0.76 MMP13 (0.68) MMP13MMP2MMP10MMP8
SCHEMBL4934683 0.75 MMP13 (0.87) MMP13

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-B1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2012-02-29 EP disclosed