SCHEMBL874299

SCHEMBL874299

COc1ncc(-c2ccc(N(C(CCn3nnc4ccccc4c3=O)C(=O)O)S(C)(=O)=O)cc2)cn1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.46
MMP3 P08254 5/20 0.46
MMP9 P14780 5/20 0.46
MMP13 P45452 5/20 0.46
MMP1 P03956 4/20 0.46
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.39
GPR139 Q6DWJ6 3/20 0.39
EIF4EBP1 Q13541 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL877235 0.91 MMP2 (0.46) MMP2MMP3MMP9MMP13MMP1
SCHEMBL877886 0.91 MMP2 (0.46) MMP2MMP3MMP9MMP13MMP1
SCHEMBL877140 0.90 MMP2 (0.51) MMP2MMP3MMP9MMP13MMP1
SCHEMBL877531 0.90 MMP2 (0.51) MMP2MMP3MMP9MMP13MMP1
SCHEMBL877040 0.89 MMP2 (0.46) MMP2MMP3MMP9MMP13MMP1
SCHEMBL876874 0.88 MMP2 (0.45) MMP2MMP3MMP9MMP13MMP1
SCHEMBL874995 0.88 MMP2 (0.45) MMP2MMP3MMP9MMP13MMP1
SCHEMBL873961 0.87 MMP2 (0.47) MMP2MMP3MMP9MMP13MMP1
SCHEMBL878345 0.87 GPR139 (0.52) MMP2MMP3MMP9MMP13MMP1
SCHEMBL876684 0.87 GPR139 (0.52) 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 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