SCHEMBL1134522

SCHEMBL1134522

CC(C)(C)OC(=O)NCCCC[C@H](N)CNC(=O)c1nc(Cl)c(N)nc1N

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
ATM Q13315 2/20 0.40
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 4/20 0.39
POLB P06746 3/20 0.39
STK17B O94768 1/20 0.39
STK17A Q9UEE5 1/20 0.39
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
KCNH2 Q12809 2/20 0.38
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
SCNN1A P37088 2/20 0.36

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
SCHEMBL1134533 0.87 TDP1 (0.49) TDP1KMT2AMEN1GAANPSR1
SCHEMBL1134601 0.80 SCNN1A (0.51) TDP1GAANPSR1MAPTKDM4E
SCHEMBL1428360 0.80 KCNH2 (0.39) TDP1KMT2AMEN1GAANPSR1
SCHEMBL1134587 0.79 SYK (0.53) TDP1KMT2AMEN1NPSR1POLB
SCHEMBL4883729 0.79 SCNN1A (0.44) TDP1GAASTK17BSTK17AMAPT
SCHEMBL4885148 0.79 SCNN1A (0.44) TDP1GAASTK17BSTK17AMAPT
SCHEMBL4884819 0.79 SCNN1A (0.44) TDP1GAASTK17BSTK17AMAPT
SCHEMBL4412096 0.79 SCNN1A (0.44) TDP1GAASTK17BSTK17AMAPT
SCHEMBL4415794 0.79 SCNN1A (0.44) TDP1GAASTK17BSTK17AMAPT
SCHEMBL4884842 0.79 SCNN1A (0.44) TDP1GAASTK17BSTK17AMAPT

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