SCHEMBL873727

SCHEMBL873727

CS(=O)(=O)N(c1ccc(-c2ccc(Cl)cc2)cc1)C(CCn1nnc2cccc(Cl)c2c1=O)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 10/20 0.40
MMP9 P14780 10/20 0.40
MMP3 P08254 8/20 0.40
MMP13 P45452 8/20 0.40
MMP1 P03956 5/20 0.40
GPR139 Q6DWJ6 6/20 0.37
ADAMTS5 Q9UNA0 1/20 0.34
EIF4EBP1 Q13541 1/20 0.34
KDM4E B2RXH2 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL877078 0.97 GPR139 (0.38) MMP2MMP9MMP3MMP13MMP1
SCHEMBL874178 0.92 GPR139 (0.42) MMP2MMP9MMP3MMP13MMP1
SCHEMBL874392 0.91 GPR139 (0.43) MMP2MMP9MMP3MMP13MMP1
SCHEMBL877971 0.88 MMP2 (0.52) MMP2MMP9MMP3MMP13MMP1
SCHEMBL876635 0.88 MMP2 (0.52) MMP2MMP9MMP3MMP13MMP1
SCHEMBL877478 0.85 GPR139 (0.50) MMP2MMP9MMP3MMP13MMP1
SCHEMBL877441 0.84 GPR139 (0.44) MMP2MMP9MMP3MMP13MMP1
SCHEMBL873568 0.82 GPR139 (0.44) MMP2MMP9MMP3MMP13MMP1
SCHEMBL877140 0.82 MMP2 (0.51) MMP2MMP9MMP3MMP13MMP1
SCHEMBL877531 0.82 MMP2 (0.51) MMP2MMP9MMP3MMP13MMP1

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 4 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 claimed
WO-2012038944-A1 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-03-29 WO claimed
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