SCHEMBL875064

SCHEMBL875064

COc1ccc(-c2ccc(N(C(CCn3nnc4ccccc4c3=O)C(=O)O)S(C)(=O)=O)cc2)c(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 6/20 0.49
NPSR1 Q6W5P4 2/20 0.48
MMP1 P03956 3/20 0.44
MMP2 P08253 3/20 0.44
MMP3 P08254 3/20 0.44
MMP9 P14780 3/20 0.44
MMP13 P45452 3/20 0.44
TSHR P16473 2/20 0.42
KMT2A Q03164 3/20 0.42
HPGD P15428 2/20 0.42
MEN1 O00255 1/20 0.41
KDM4E B2RXH2 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL878345 0.90 GPR139 (0.52) GPR139NPSR1MMP1MMP2MMP3
SCHEMBL876684 0.90 GPR139 (0.52) GPR139NPSR1MMP1MMP2MMP3
SCHEMBL877287 0.89 MMP1 (0.47) GPR139NPSR1MMP1MMP2MMP3
SCHEMBL877837 0.89 MMP1 (0.47) GPR139NPSR1MMP1MMP2MMP3
SCHEMBL877862 0.88 KMT2A (0.47) GPR139NPSR1MMP1MMP2MMP3
SCHEMBL877196 0.87 MMP1 (0.43) GPR139NPSR1MMP1MMP2MMP3
SCHEMBL874055 0.86 MMP1 (0.44) GPR139NPSR1MMP1MMP2MMP3
SCHEMBL877310 0.86 MMP1 (0.44) GPR139NPSR1MMP1MMP2MMP3
SCHEMBL877066 0.86 MMP1 (0.44) GPR139NPSR1MMP1MMP2MMP3
SCHEMBL877140 0.86 MMP2 (0.51) GPR139NPSR1MMP1MMP2MMP3

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