SCHEMBL2013943

SCHEMBL2013943

CCn1c(CNC(=O)c2nc(Cl)c(N)nc2N)nc2ccc(CCC(=O)NCCCO)cc21

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACSS2 Q9NR19 2/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
KCNH2 Q12809 2/20 0.38
HTT P42858 1/20 0.37
SCNN1A P37088 3/20 0.36
KMT2A Q03164 1/20 0.36
PYGL P06737 1/20 0.36
GAA P10253 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
SCHEMBL2018137 0.95 ACSS2 (0.39) ACSS2HDAC1HDAC8KCNH2HTT
SCHEMBL2016749 0.91 ACSS2 (0.41) ACSS2HTTSCNN1AKMT2A
SCHEMBL2014255 0.88 HTT (0.41) ACSS2HTTSCNN1AKMT2AGAA
SCHEMBL2018304 0.86 HTT (0.40) ACSS2HTTSCNN1AKMT2A
SCHEMBL2020338 0.86 HTT (0.46) ACSS2HTTSCNN1AKMT2AGAA
Iodide SCHEMBL2020864 0.83 SCNN1A (0.40) KCNH2SCNN1APYGL
SCHEMBL2014371 0.81 FKBP1A (0.41) ACSS2HTTSCNN1AKMT2A
SCHEMBL2040435 0.81 HTT (0.45) ACSS2HTTKMT2AGAA
SCHEMBL2016331 0.80 HTT (0.52) ACSS2HTTSCNN1AKMT2AGAA
SCHEMBL2014823 0.80 HTT (0.45) HTTSCNN1AKMT2A

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
WO-2011079087-A1 ENAC BLOCKERS GLAXO GROUP LIMITED (GB) 2011-06-30 WO disclosed