SCHEMBL877887

SCHEMBL877887

COc1ccc(-c2ccc(N(C(CCn3nnc4ccccc4c3=O)C(=O)OCc3ccccc3)S(C)(=O)=O)cc2)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.42
MMP3 P08254 5/20 0.42
MMP9 P14780 5/20 0.42
MMP13 P45452 5/20 0.42
MMP1 P03956 4/20 0.42
HPGD P15428 2/20 0.38
EIF4EBP1 Q13541 1/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 2/20 0.37
KDM4E B2RXH2 1/20 0.37
TP53 P04637 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPK10 P53779 1/20 0.36
TSHR P16473 1/20 0.36
GAA P10253 1/20 0.36
GPR139 Q6DWJ6 1/20 0.36

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
SCHEMBL877444 0.88 HPGD (0.50) MMP2MMP3MMP9MMP13MMP1
SCHEMBL874299 0.83 MMP2 (0.46) MMP2MMP3MMP9MMP13MMP1
SCHEMBL873794 0.81 GPR139 (0.42) MMP2MMP3MMP9MMP13MMP1
SCHEMBL877040 0.81 MMP2 (0.46) MMP2MMP3MMP9MMP13MMP1
SCHEMBL877140 0.80 MMP2 (0.51) MMP2MMP3MMP9MMP13MMP1
SCHEMBL877531 0.80 MMP2 (0.51) MMP2MMP3MMP9MMP13MMP1
SCHEMBL876621 0.79 GPR139 (0.40) MMP2MMP3MMP9MMP13MMP1
SCHEMBL877706 0.78 MMP2 (0.45) 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