SCHEMBL877277

SCHEMBL877277

CS(=O)(=O)N(c1ccc(Br)cc1)C(CCN1C(=O)c2ccccc2C1=O)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 17/20 0.49
MMP9 P14780 17/20 0.49
MMP1 P03956 2/20 0.49
MMP14 P50281 2/20 0.49
ADAM17 P78536 1/20 0.49
MMP3 P08254 2/20 0.43
MMP13 P45452 2/20 0.43
GSK3B P49841 1/20 0.42

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
SCHEMBL876861 0.90 MMP2 (0.55) MMP2MMP9MMP1MMP14ADAM17
SCHEMBL877006 0.88 MMP2 (0.51) MMP2MMP9MMP3MMP13
SCHEMBL876385 0.87 MMP2 (0.59) MMP2MMP9MMP1MMP14MMP3
SCHEMBL877131 0.84 MMP2 (0.64) MMP2MMP9MMP1MMP14MMP3
SCHEMBL877176 0.79 MMP2 (0.48) MMP2MMP9MMP1MMP14MMP3
SCHEMBL874167 0.77 LPAR1 (0.49) MMP2MMP9MMP3MMP13
SCHEMBL877810 0.77 GPR139 (0.50) MMP2MMP9MMP1MMP3MMP13
SCHEMBL877694 0.76 MMP2 (0.47) MMP2MMP9MMP1MMP14MMP3
SCHEMBL874425 0.75 MMP2 (0.48) MMP2MMP9MMP3MMP13
SCHEMBL2561591 0.70 TSHR (0.41)

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
EP-2619179-A1 MATRIX METALLOPROTEINASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2013-07-31 EP disclosed
WO-2012038944-A1 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-03-29 WO disclosed