SCHEMBL874178

SCHEMBL874178

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

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 6/20 0.42
MMP2 P08253 8/20 0.39
MMP9 P14780 8/20 0.39
MMP3 P08254 6/20 0.39
MMP13 P45452 6/20 0.39
MMP1 P03956 3/20 0.39
EIF4EBP1 Q13541 2/20 0.34
ADAMTS5 Q9UNA0 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
KDM4E B2RXH2 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL873727 0.92 MMP2 (0.40) GPR139MMP2MMP9MMP3MMP13
SCHEMBL874392 0.89 GPR139 (0.43) GPR139MMP2MMP9MMP3MMP13
SCHEMBL877078 0.89 GPR139 (0.38) GPR139MMP2MMP9MMP3MMP13
SCHEMBL876635 0.86 MMP2 (0.52) GPR139MMP2MMP9MMP3MMP13
SCHEMBL877971 0.86 MMP2 (0.52) GPR139MMP2MMP9MMP3MMP13
SCHEMBL877478 0.83 GPR139 (0.50) GPR139MMP2MMP9MMP3MMP13
SCHEMBL877441 0.83 GPR139 (0.44) GPR139MMP2MMP9MMP3MMP13
SCHEMBL874107 0.82 MMP2 (0.44) GPR139MMP2MMP9MMP3MMP13
SCHEMBL877223 0.82 MMP2 (0.44) GPR139MMP2MMP9MMP3MMP13
SCHEMBL877079 0.81 GPR139 (0.48) GPR139MMP2MMP9MMP3MMP13

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