SCHEMBL2018430

SCHEMBL2018430

CCCOc1ccc2nc(CNC(=O)c3nc(Cl)c(N)nc3N)n(CC)c2c1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACSS2 Q9NR19 5/20 0.42
SCNN1A P37088 8/20 0.42
HTT P42858 1/20 0.41
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
S1PR3 Q99500 2/20 0.36
KCNH2 Q12809 1/20 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
SCHEMBL2016536 0.93 HTT (0.42) ACSS2SCNN1AHTTKCNH2
SCHEMBL2022069 0.90 ACSS2 (0.47) ACSS2SCNN1AHTTMEN1KMT2A
SCHEMBL2018438 0.90 SCNN1A (0.44) ACSS2SCNN1AHTT
SCHEMBL12635701 0.90 ACSS2 (0.49) ACSS2SCNN1AHTTKCNH2
SCHEMBL17935311 0.89 ACSS2 (0.43) ACSS2SCNN1AHTT
SCHEMBL16882065 0.89 SCNN1A (0.40) ACSS2SCNN1AHTTKCNH2
SCHEMBL12635952 0.88 HTT (0.41) ACSS2SCNN1AHTTMEN1KMT2A
SCHEMBL2015793 0.88 KCNH2 (0.49) ACSS2SCNN1AHTTMEN1KMT2A
SCHEMBL21335806 0.88 SCNN1A (0.39) ACSS2SCNN1AHTTKCNH2
SCHEMBL2017976 0.87 HTT (0.40) ACSS2SCNN1AHTTMEN1KMT2A

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

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