SCHEMBL6828258

SCHEMBL6828258

Cc1cc(C2CCN(S(=O)(=O)C[C@]3(C)NC(=O)NC3=O)CC2)ccc1C#N

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 20/20 0.52
MMP14 P50281 9/20 0.52
MMP12 P39900 5/20 0.51
KCNH2 Q12809 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
SCHEMBL6828257 1.00 MMP13 (0.52) MMP13MMP14MMP12KCNH2
SCHEMBL940503 0.83 MMP13 (0.58) MMP13MMP14MMP12KCNH2
SCHEMBL943926 0.80 MMP13 (0.72) MMP13MMP14MMP12KCNH2
SCHEMBL941841 0.80 MMP13 (0.72) MMP13MMP14MMP12KCNH2
SCHEMBL8233841 0.80 MMP13 (0.72) MMP13MMP14MMP12KCNH2
SCHEMBL944081 0.80 MMP13 (0.72) MMP13MMP14MMP12KCNH2
SCHEMBL941319 0.79 MMP13 (0.62) MMP13MMP14MMP12KCNH2
SCHEMBL942429 0.79 MMP13 (0.67) MMP13MMP14MMP12KCNH2
SCHEMBL941054 0.78 MMP13 (0.73) MMP13MMP14MMP12KCNH2
SCHEMBL6920418 0.77 MMP13 (0.42) MMP13MMP14MMP12

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
WO-2004024718-A1 IMIDAZOLIDINEDIONE-DERIVATIVES AND THEIR USE AS METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2004-03-25 WO claimed
WO-2004024718-A1 IMIDAZOLIDINEDIONE-DERIVATIVES AND THEIR USE AS METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2004-03-25 WO disclosed