SCHEMBL1134533

SCHEMBL1134533

CC(C)(C)OC(=O)NCCCCCNC(=O)c1nc(Cl)c(N)nc1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.49
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
SCNN1A P37088 2/20 0.44
STK17B O94768 1/20 0.44
STK17A Q9UEE5 1/20 0.44
KCNH2 Q12809 2/20 0.44
NPSR1 Q6W5P4 3/20 0.43
CSNK2A2 P19784 1/20 0.42
CSNK2A1 P68400 1/20 0.42
CA12 O43570 4/20 0.41
CA1 P00915 4/20 0.41
CA2 P00918 4/20 0.41
CA9 Q16790 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 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
SCHEMBL1428360 0.89 KCNH2 (0.39) TDP1MAOAMAOBSCNN1ASTK17B
SCHEMBL4884842 0.89 SCNN1A (0.44) TDP1MAOAMAOBSCNN1ASTK17B
SCHEMBL4883729 0.89 SCNN1A (0.44) TDP1MAOAMAOBSCNN1ASTK17B
SCHEMBL4885148 0.89 SCNN1A (0.44) TDP1MAOAMAOBSCNN1ASTK17B
SCHEMBL4884819 0.89 SCNN1A (0.44) TDP1MAOAMAOBSCNN1ASTK17B
SCHEMBL4415794 0.89 SCNN1A (0.44) TDP1MAOAMAOBSCNN1ASTK17B
SCHEMBL4412096 0.89 SCNN1A (0.44) TDP1MAOAMAOBSCNN1ASTK17B
SCHEMBL1134522 0.87 TDP1 (0.40) TDP1MAOAMAOBSCNN1ASTK17B
SCHEMBL14088224 0.85 SCNN1A (0.43) TDP1MAOAMAOBSCNN1ASTK17B
SCHEMBL4415799 0.84 PLAU (0.48) TDP1MAOAMAOBSCNN1ASTK17B

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-2300010-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2011-03-30 EP disclosed
EP-2285785-A1 3,5-DIAMINO-6-CHLORO-PYRAZINE-2-CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS EPITHELIAL SODIUM CHANNEL BLOCKERS FOR THE TREATMENT OF ARWAY DISEASES Novartis AG (CH) 2011-02-23 EP disclosed
WO-2009150137-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-17 WO disclosed
WO-2009138378-A1 3,5-DIAMINO-6-CHLORO-PYRAZINE-2-CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS EPITHELIAL SODIUM CHANNEL BLOCKERS FOR THE TREATMENT OF ARWAY DISEASES NOVARTIS AG (CH) 2009-11-19 WO disclosed