SCHEMBL873796

SCHEMBL873796

COc1ccc2nnn(CCC(C(=O)O)N(c3ccc(Cl)cc3)S(C)(=O)=O)c(=O)c2c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 14/20 0.48
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
MMP9 P14780 1/20 0.41
MMP13 P45452 1/20 0.41
NPSR1 Q6W5P4 1/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
EIF4EBP1 Q13541 1/20 0.37
AKR1B10 O60218 1/20 0.37

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
SCHEMBL874247 0.91 GPR139 (0.44) GPR139NPSR1ALDH1A1HPGDKMT2A
SCHEMBL876799 0.90 GPR139 (0.51) GPR139MMP2MMP9NPSR1ALDH1A1
SCHEMBL874810 0.88 GPR139 (0.52) GPR139NPSR1ALDH1A1HPGDKMT2A
SCHEMBL878345 0.86 GPR139 (0.52) GPR139MMP1MMP2MMP3MMP9
SCHEMBL876684 0.86 GPR139 (0.52) GPR139MMP1MMP2MMP3MMP9
SCHEMBL877478 0.86 GPR139 (0.50) GPR139MMP1MMP2MMP3MMP9
SCHEMBL877441 0.83 GPR139 (0.44) GPR139MMP1MMP2MMP3MMP9
SCHEMBL874812 0.83 GPR139 (0.46) GPR139MMP1MMP2MMP3MMP9
SCHEMBL876635 0.83 MMP2 (0.52) GPR139MMP1MMP2MMP3MMP9
SCHEMBL877971 0.83 MMP2 (0.52) GPR139MMP1MMP2MMP3MMP9

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