SCHEMBL4720963

SCHEMBL4720963

CCN(CC)C(=O)COc1ccc(CNC(=O)c2cc(C(=O)NCc3ccc(F)c(C)c3)ncn2)cc1

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 8/20 0.72
▸ MMP10 P09238 3/20 0.56
▸ MMP8 P22894 3/20 0.56
▸ MMP9 P14780 1/20 0.56
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ GAA P10253 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ TRPM8 Q7Z2W7 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 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
SCHEMBL4718797 0.88 MMP13 (0.75) MMP13MMP10MMP8MMP9
SCHEMBL6474462 0.87 MMP13 (0.79) MMP13MMP10MMP8MMP9GAA
SCHEMBL8358823 0.83 MMP13 (1.00) MMP13MMP10MMP8MMP9
SCHEMBL29838134 0.83 MMP13 (1.00) MMP13MMP10MMP8MMP9
SCHEMBL8331676 0.83 MMP13 (0.72) MMP13MMP10MMP8MMP9GAA
SCHEMBL8357428 0.81 MMP13 (0.90) MMP13MMP10MMP8MMP9GAA
SCHEMBL8335069 0.81 MMP13 (0.77) MMP13MMP10MMP8MMP9MAPT
SCHEMBL8360162 0.80 MMP13 (0.88) MMP13MMP10MMP8MMP9HTT
SCHEMBL12272887 0.80 MMP13 (0.92) MMP13MMP10MMP8MMP9NPC1
SCHEMBL5615854 0.79 MMP13 (0.86) MMP13MMP10MMP8MMP9GAA

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-1560815-B1 NOVEL PYRIMIDINE-4,6-DICARBOXAMIDES FOR THE SELECTIVE INHIBITION OF COLLAGENASES SANOFI AVENTIS DEUTSCHLAND (DE) 2008-03-12 — — EP claimed
US-7166609-B2 Pyrimidine-4,6-dicarboxylic acid diamides for selectively inhibiting collagenases SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-01-23 — — US disclosed
US-7166609-B2 Pyrimidine-4,6-dicarboxylic acid diamides for selectively inhibiting collagenases SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-01-23 — — US 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
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