SCHEMBL4566786

SCHEMBL4566786

Cc1ccc(-c2ccc(CCC(O)C(Cn3nnc4ccccc4c3=O)C(=O)O)cc2)cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 4/20 0.47
SMN1; SMN2 Q16637 5/20 0.42
GAA P10253 3/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
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
HPGD P15428 3/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
PTBP1 P26599 1/20 0.40
HTT P42858 1/20 0.40
KDM4E B2RXH2 2/20 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
SCHEMBL1842858 1.00 GPR139 (0.47) GPR139SMN1; SMN2GAAALDH1A1LMNA
SCHEMBL4566787 1.00 GPR139 (0.47) GPR139SMN1; SMN2GAAALDH1A1LMNA
SCHEMBL1843118 0.92 GPR139 (0.46) GPR139SMN1; SMN2GAAALDH1A1LMNA
SCHEMBL4042365 0.92 GPR139 (0.46) GPR139SMN1; SMN2GAAALDH1A1LMNA
SCHEMBL4207223 0.92 GPR139 (0.48) GPR139SMN1; SMN2GAAL3MBTL1MMP1
SCHEMBL1843461 0.92 GPR139 (0.48) GPR139SMN1; SMN2GAAL3MBTL1MMP1
SCHEMBL4221194 0.90 GPR139 (0.49) GPR139SMN1; SMN2GAAALDH1A1L3MBTL1
SCHEMBL4215503 0.90 GPR139 (0.49) GPR139SMN1; SMN2GAAALDH1A1L3MBTL1
SCHEMBL1845137 0.90 GPR139 (0.49) GPR139SMN1; SMN2GAAALDH1A1L3MBTL1
SCHEMBL1842930 0.89 GPR139 (0.45) GPR139SMN1; SMN2ALDH1A1MMP1MMP2

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-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