SCHEMBL4207223

SCHEMBL4207223

O=C(O)C(Cn1nnc2ccccc2c1=O)[C@H](O)CCc1ccc(-c2ccc(F)c(F)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 5/20 0.48
SMN1; SMN2 Q16637 3/20 0.44
MMP2 P08253 4/20 0.44
MMP3 P08254 4/20 0.44
MMP9 P14780 4/20 0.44
MMP13 P45452 4/20 0.44
MMP1 P03956 2/20 0.44
GAA P10253 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
KDM4E B2RXH2 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL1843461 1.00 GPR139 (0.48) GPR139SMN1; SMN2MMP2MMP3MMP9
SCHEMBL1842858 0.92 GPR139 (0.47) GPR139SMN1; SMN2MMP2MMP3MMP9
SCHEMBL4566787 0.92 GPR139 (0.47) GPR139SMN1; SMN2MMP2MMP3MMP9
SCHEMBL4566786 0.92 GPR139 (0.47) GPR139SMN1; SMN2MMP2MMP3MMP9
SCHEMBL379315 0.92 MMP2 (0.49) GPR139SMN1; SMN2MMP2MMP3MMP9
SCHEMBL1841931 0.92 MMP2 (0.49) GPR139SMN1; SMN2MMP2MMP3MMP9
SCHEMBL4210499 0.92 MMP2 (0.49) GPR139SMN1; SMN2MMP2MMP3MMP9
SCHEMBL1841923 0.91 SMN1; SMN2 (0.54) GPR139SMN1; SMN2MMP2MMP3MMP9
SCHEMBL1844872 0.91 SMN1; SMN2 (0.54) GPR139SMN1; SMN2MMP2MMP3MMP9
SCHEMBL4221498 0.91 SMN1; SMN2 (0.54) GPR139SMN1; SMN2MMP2MMP3MMP9

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-2074093-A2 MATRIX METALLOPROTEINASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2009-07-01 EP claimed
WO-2008023336-A2 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2008-02-28 WO claimed
EP-2074093-A2 MATRIX METALLOPROTEINASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2009-07-01 EP disclosed
WO-2008023336-A2 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2008-02-28 WO disclosed