SCHEMBL689697

SCHEMBL689697

Cc1ccc2nc(C(=O)NCc3cccc(OCCSN4C=CNN4)c3)[nH]c(=O)c2c1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 20/20 0.57
MMP2 P08253 4/20 0.55
MMP10 P09238 4/20 0.55
MMP8 P22894 4/20 0.55
MMP3 P08254 2/20 0.48
MMP12 P39900 2/20 0.48
MMP7 P09237 1/20 0.47
MMP9 P14780 1/20 0.47
MMP14 P50281 1/20 0.47
ADAM17 P78536 1/20 0.47

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 0.81 MMP13 (0.61) MMP13MMP2MMP10MMP8
SCHEMBL689696 0.81 MMP13 (0.61) MMP13MMP2MMP10MMP8
SCHEMBL4930771 0.80 MMP13 (0.79) MMP13
SCHEMBL4932412 0.73 MMP13 (0.77) MMP13MMP2MMP10MMP8
SCHEMBL4934683 0.73 MMP13 (0.87) MMP13
SCHEMBL688369 0.73 MMP13 (1.00) MMP13MMP2MMP10MMP8MMP3
SCHEMBL689160 0.73 MMP13 (0.70) MMP13MMP2MMP10MMP8
SCHEMBL4936684 0.72 MMP13 (0.81) MMP13MMP2MMP10MMP8MMP3
SCHEMBL4932669 0.72 MMP13 (0.78) MMP13MMP2MMP10MMP8
SCHEMBL4934517 0.72 MMP13 (0.78) MMP13MMP2MMP10MMP8

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