SCHEMBL4698064

SCHEMBL4698064

COC(=O)Oc1cc(OC(=O)OC)ncn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.42
CYP1A2 P05177 1/20 0.41
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 3/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.34
JAK2 O60674 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
ACACB O00763 2/20 0.33
KDR P35968 2/20 0.32
TNNI3K Q59H18 2/20 0.32
MAPK14 Q16539 1/20 0.32
MAPK8 P45983 1/20 0.32
AAK1 Q2M2I8 1/20 0.32
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL1934857 0.88 L3MBTL1 (0.37) L3MBTL1CYP1A2ALDH1A1KDM4EHPGD
SCHEMBL9189087 0.88 L3MBTL1 (0.37) L3MBTL1CYP1A2ALDH1A1KDM4EHPGD
SCHEMBL9319778 0.76 KDM4E (0.41) CYP1A2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL6648327 0.76 P2RX7 (0.41) CYP1A2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL9190692 0.75 ALDH1A1 (0.41) CYP1A2ALDH1A1KDM4ESMN1; SMN2KDR
SCHEMBL9568958 0.75 AAK1 (0.38) ALDH1A1KDM4EHPGDHSD17B10ACACB
SCHEMBL3441226 0.75 GAA (0.39) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL4698056 0.75 KMO (0.35) L3MBTL1CYP1A2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL6225917 0.74 KDM4E (0.48) L3MBTL1CYP1A2ALDH1A1KDM4EHPGD
SCHEMBL245065 0.74 NPC1 (0.46) L3MBTL1CYP1A2ALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1455790-B1 USE OF PYRIDINE-2,4-DICARBOXYLIC ACID DIAMIDES AND OF PYRIMIDINE-4,6-DICARBOXYLIC ACID DIAMIDES FOR SELECTIVE COLLAGENASE INHIBITION SANOFI AVENTIS DEUTSCHLAND (DE) 2008-03-26 EP disclosed
EP-1560815-B1 NOVEL PYRIMIDINE-4,6-DICARBOXAMIDES FOR THE SELECTIVE INHIBITION OF COLLAGENASES SANOFI AVENTIS DEUTSCHLAND (DE) 2008-03-12 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
EP-1455790-A1 USE OF PYRIDINE-2,4-DICARBOXYLIC ACID DIAMIDES AND OF PYRIMIDINE-4,6-DICARBOXYLIC ACID DIAMIDES FOR SELECTIVE COLLAGENASE INHIBITION Aventis Pharma Deutschland GmbH (DE) 2004-09-15 EP 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
WO-2003049738-A1 USE OF PYRIDINE-2,4-DICARBOXYLIC ACID DIAMIDES AND OF PYRIMIDINE-4,6-DICARBOXYLIC ACID DIAMIDES FOR SELECTIVE COLLAGENASE INHIBITION AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-06-19 WO disclosed
EP-0418797-B1 Pyrimidin-4,6-dicarboxilic acid diamides, process for their preparation also medicine based on those compounds HOECHST AG (DE) 1994-08-24 EP disclosed
EP-0418797-A2 Pyrimidin-4,6-dicarboxilic acid diamides, process for their preparation also medicine based on those compounds HOECHST AKTIENGESELLSCHAFT (DE) 1991-03-27 EP disclosed