SCHEMBL4444725

SCHEMBL4444725

Cc1cc(COc2ccc(C(=O)NC3CN(C(C)C)CC34NC(=O)NC4=O)cc2)c2ccccc2n1

nearest known ligand 0.83

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 4/20 0.68
MMP13 P45452 4/20 0.68
MMP2 P08253 1/20 0.62
ADAM17 P78536 1/20 0.59

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
SCHEMBL4444735 1.00 MMP12 (0.68) MMP12MMP13MMP2ADAM17
SCHEMBL4057642 0.91 MMP12 (0.70) MMP12MMP13MMP2ADAM17
SCHEMBL4057638 0.91 MMP12 (0.70) MMP12MMP13MMP2ADAM17
SCHEMBL4442027 0.90 MMP13 (0.65) MMP12MMP13MMP2ADAM17
SCHEMBL4442031 0.90 MMP13 (0.65) MMP12MMP13MMP2ADAM17
SCHEMBL4440716 0.89 MMP12 (0.81) MMP12MMP13MMP2ADAM17
SCHEMBL4440725 0.89 MMP12 (0.81) MMP12MMP13MMP2ADAM17
SCHEMBL4442451 0.89 ADAM17 (0.54) MMP12MMP13ADAM17
SCHEMBL4442448 0.89 ADAM17 (0.54) MMP12MMP13ADAM17
SCHEMBL4052465 0.89 MMP12 (0.67) MMP12MMP13MMP2ADAM17

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-1397137-B1 HYDANTION DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES BRISTOL MYERS SQUIBB CO (US) 2009-10-14 EP claimed