SCHEMBL877971

SCHEMBL877971

CS(=O)(=O)N(c1ccc(-c2ccc(Cl)cc2)cc1)[C@H](CCn1nnc2ccccc2c1=O)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 8/20 0.52
MMP3 P08254 8/20 0.52
MMP9 P14780 8/20 0.52
MMP13 P45452 8/20 0.52
MMP1 P03956 5/20 0.52
GPR139 Q6DWJ6 5/20 0.48
KMT2A Q03164 3/20 0.46
KDM4E B2RXH2 1/20 0.46
EIF4EBP1 Q13541 1/20 0.46
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 2/20 0.43
HPGD P15428 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
SCHEMBL876635 1.00 MMP2 (0.52) MMP2MMP3MMP9MMP13MMP1
SCHEMBL877478 0.97 GPR139 (0.50) MMP2MMP3MMP9MMP13MMP1
SCHEMBL877531 0.94 MMP2 (0.51) MMP2MMP3MMP9MMP13MMP1
SCHEMBL877140 0.94 MMP2 (0.51) MMP2MMP3MMP9MMP13MMP1
SCHEMBL877385 0.92 KMT2A (0.47) MMP2MMP3MMP9MMP13MMP1
SCHEMBL877200 0.92 KMT2A (0.47) MMP2MMP3MMP9MMP13MMP1
SCHEMBL873961 0.92 MMP2 (0.47) MMP2MMP3MMP9MMP13MMP1
SCHEMBL876584 0.91 MMP2 (0.44) MMP2MMP3MMP9MMP13MMP1
SCHEMBL877199 0.91 MMP2 (0.44) MMP2MMP3MMP9MMP13MMP1
SCHEMBL877576 0.91 MMP2 (0.44) MMP2MMP3MMP9MMP13MMP1

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