SCHEMBL3933308

SCHEMBL3933308

C[C@]1(CS(=O)(=O)N2CC=C(C#Cc3cccc4ncccc34)CC2)NC(=O)NC1=O

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 18/20 0.45
MMP14 P50281 9/20 0.42
GRM5 P41594 2/20 0.41
MMP12 P39900 3/20 0.39

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
SCHEMBL12377094 0.83 GRM5 (0.61) MMP13MMP14GRM5MMP12
SCHEMBL4008864 0.81 MMP13 (0.39) MMP13MMP14MMP12
SCHEMBL8148826 0.80 MMP13 (0.37) MMP13MMP14MMP12
SCHEMBL4009583 0.79 MMP13 (0.44) MMP13MMP14MMP12
SCHEMBL2292206 0.79 MMP13 (0.44) MMP13MMP14MMP12
SCHEMBL8138164 0.79 MMP13 (0.40) MMP13MMP14MMP12
SCHEMBL4009539 0.78 MMP13 (0.38) MMP13MMP14MMP12
SCHEMBL8125080 0.78 MMP13 (0.38) MMP13MMP14MMP12
SCHEMBL5241113 0.78 MMP13 (0.43) MMP13MMP14MMP12
SCHEMBL2289321 0.78 MMP13 (0.43) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009007747-A2 HYDANTOIN DERIVATIVES USED AS MMP12 INHIBITORS ASTRAZENECA AB (SE) 2009-01-15 WO disclosed