SCHEMBL4716571

SCHEMBL4716571

Cc1cc(CNC(=O)c2cc(OC(=O)O)ncn2)ccc1F

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 14/20 0.76
MMP10 P09238 5/20 0.63
MMP8 P22894 5/20 0.63
MMP9 P14780 1/20 0.63
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
PTPN7 P35236 1/20 0.38
DUSP3 P51452 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38

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
SCHEMBL4718343 0.90 MMP13 (0.74) MMP13MMP10MMP8MMP9HCRTR1
SCHEMBL8358823 0.87 MMP13 (1.00) MMP13MMP10MMP8MMP9HCRTR1
SCHEMBL29838134 0.87 MMP13 (1.00) MMP13MMP10MMP8MMP9HCRTR1
SCHEMBL4716566 0.85 MMP13 (0.90) MMP13MMP10MMP8MMP9HCRTR1
SCHEMBL14308577 0.84 MMP13 (0.83) MMP13MMP10MMP8MMP9HCRTR1
SCHEMBL8360162 0.84 MMP13 (0.88) MMP13MMP10MMP8MMP9HCRTR1
SCHEMBL12272887 0.83 MMP13 (0.92) MMP13MMP10MMP8MMP9HCRTR1
SCHEMBL5616128 0.83 MMP13 (0.86) MMP13MMP10MMP8MMP9HCRTR1
SCHEMBL8357428 0.82 MMP13 (0.90) MMP13MMP10MMP8MMP9
SCHEMBL14284143 0.82 MMP13 (0.90) MMP13MMP10MMP8MMP9HCRTR1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1560815-B1 NOVEL PYRIMIDINE-4,6-DICARBOXAMIDES FOR THE SELECTIVE INHIBITION OF COLLAGENASES SANOFI AVENTIS DEUTSCHLAND (DE) 2008-03-12 EP disclosed
EP-1587803-A1 PYRIMIDINE-4,6-DICARBOXYLIC ACID DIAMIDES FOR USE AS SELECTIVE MMP 13 INHIBITORS Aventis Pharma Deutschland GmbH (DE) 2005-10-26 EP disclosed
EP-1560815-A1 NOVEL PYRIMIDINE-4,6-DICARBOXAMIDES FOR THE SELECTIVE INHIBITION OF COLLAGENASES Aventis Pharma Deutschland GmbH (DE) 2005-08-10 EP disclosed
WO-2004060883-A1 PYRIMIDINE-4,6-DICARBOXYLIC ACID DIAMIDES FOR USE AS SELECTIVE MMP 13 INHIBITORS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-07-22 WO disclosed
WO-2004041788-A1 NOVEL PYRIMIDINE-4,6-DICARBOXAMIDES FOR THE SELECTIVE INHIBITION OF COLLAGENASES AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-05-21 WO disclosed