SCHEMBL877097

SCHEMBL877097

COc1ccc(-c2ccc(N([C@H](CCn3nnc4cc(Cl)ccc4c3=O)C(=O)O)S(C)(=O)=O)cc2)cc1F

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EIF4EBP1 Q13541 1/20 0.39
MMP2 P08253 4/20 0.38
MMP3 P08254 4/20 0.38
MMP9 P14780 4/20 0.38
MMP13 P45452 4/20 0.38
MMP1 P03956 3/20 0.38
HTT P42858 1/20 0.38
GPR139 Q6DWJ6 3/20 0.38
NR1H4 Q96RI1 1/20 0.36
MAPT P10636 5/20 0.35
TP53 P04637 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MCHR1 Q99705 2/20 0.34
ALDH1A1 P00352 2/20 0.34
ABCC1 P33527 1/20 0.33
MEN1 O00255 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
SCHEMBL876807 0.92 GPR139 (0.42) MMP2MMP3MMP9MMP13MMP1
SCHEMBL874055 0.90 MMP1 (0.44) EIF4EBP1MMP2MMP3MMP9MMP13
SCHEMBL877310 0.90 MMP1 (0.44) EIF4EBP1MMP2MMP3MMP9MMP13
SCHEMBL877066 0.90 MMP1 (0.44) EIF4EBP1MMP2MMP3MMP9MMP13
SCHEMBL876683 0.90 GPR139 (0.40) MMP2MMP3MMP9MMP13MMP1
SCHEMBL877441 0.89 GPR139 (0.44) EIF4EBP1MMP2MMP3MMP9MMP13
SCHEMBL877960 0.88 GPR139 (0.42) MMP2MMP3MMP9MMP13MMP1
SCHEMBL877710 0.87 GPR139 (0.41) MMP2MMP3MMP9MMP13MMP1
SCHEMBL878146 0.85 GPR139 (0.41) MMP2MMP3MMP9MMP13MMP1
SCHEMBL877187 0.84 GPR139 (0.41) 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