SCHEMBL7425834

SCHEMBL7425834

CC(C)(C)C(NC(=O)C(CC#Cc1ccc(-c2ccccc2)cc1)CC(=O)NO)C(=O)Nc1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 15/20 0.47
MMP3 P08254 13/20 0.47
MMP1 P03956 7/20 0.47
MMP9 P14780 4/20 0.47
MMP7 P09237 1/20 0.47
MMP14 P50281 1/20 0.44

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
SCHEMBL7420144 0.92 MMP3 (0.48) MMP2MMP3MMP1MMP9MMP7
SCHEMBL7475365 0.88 MMP3 (0.45) MMP2MMP3MMP1MMP9MMP7
SCHEMBL8664026 0.72 MMP1 (0.51) MMP2MMP3MMP1MMP9MMP7
SCHEMBL7192046 0.72 MMP3 (0.52) MMP2MMP3MMP1MMP9MMP7
SCHEMBL8652197 0.71 MMP1 (0.49) MMP2MMP3MMP1MMP9MMP7
SCHEMBL7421621 0.71 PDF (0.54) MMP2MMP3MMP1MMP9MMP14
SCHEMBL8193036 0.66 MMP1 (0.77) MMP2MMP3MMP1MMP9MMP7
SCHEMBL8190115 0.66 MMP1 (0.77) MMP2MMP3MMP1MMP9MMP7
SCHEMBL8887821 0.65 MMP1 (0.76) MMP2MMP3MMP1MMP9MMP7
SCHEMBL8026514 0.65 MMP1 (0.76) MMP2MMP3MMP1MMP9MMP7

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0944587-B1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARM (GB) 2002-03-20 EP disclosed
EP-0944587-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1999-09-29 EP disclosed
WO-1998024759-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1998-06-11 WO disclosed