SCHEMBL13356540

SCHEMBL13356540

CCc1cnc2c(c1)NC(=O)CS2

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.45
MAOA P21397 9/20 0.45
KMT2A Q03164 1/20 0.40
EPHX2 P34913 1/20 0.40
PARP1 P09874 1/20 0.39
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
HPGD P15428 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL2924632 0.85 MAOB (0.40) MAOBMAOAKMT2AEPHX2NPC1
SCHEMBL13356496 0.85 MAOB (0.39) MAOBMAOAKMT2AEPHX2NPC1
SCHEMBL19629987 0.80 MAOB (0.39) MAOBMAOAKMT2AEPHX2NPC1
SCHEMBL10285185 0.80 EPHX2 (0.50) MAOBMAOAKMT2AEPHX2NPC1
SCHEMBL2797763 0.77 MAOB (0.40) MAOBMAOAKMT2AEPHX2NPC1
SCHEMBL2123339 0.76 MAOA (0.41) MAOBMAOAKMT2AEPHX2NPC1
SCHEMBL26386762 0.76 MAOB (0.39) MAOBMAOAKMT2AEPHX2NPC1
SCHEMBL25110146 0.76 KMT2A (0.43) MAOBMAOAKMT2AEPHX2NPC1
SCHEMBL21400792 0.76 EPHX2 (0.40) MAOBMAOAKMT2AEPHX2NPC1
SCHEMBL2926434 0.74 ALDH1A1 (0.60) MAOBMAOAKMT2AEPHX2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2181996-A1 Aminopiperidine derivatives GLAXO GROUP LIMITED (GB) 2010-05-05 EP disclosed