SCHEMBL2017078

SCHEMBL2017078

CCC(SC(=O)c1ccc2nc(CNC(=O)c3nc(Cl)c(N)nc3N)n(CC)c2c1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.41
ACSS2 Q9NR19 9/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HDAC6 Q9UBN7 1/20 0.36
TP53 P04637 2/20 0.35
LMNA P02545 1/20 0.35
DRD5 P21918 1/20 0.35
SCNN1A P37088 1/20 0.35
SCNN1B P51168 1/20 0.35
SCNN1G P51170 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
CTSA P10619 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
SCHEMBL2017836 0.88 HTT (0.46) HTTACSS2MEN1KMT2AHDAC6
SCHEMBL12636656 0.87 HTT (0.41) HTTACSS2MEN1KMT2AHDAC6
SCHEMBL2020396 0.85 HTT (0.48) HTTACSS2MEN1KMT2AHDAC6
SCHEMBL12635756 0.85 HTT (0.49) HTTACSS2MEN1KMT2AHDAC6
SCHEMBL2020165 0.84 ACSS2 (0.46) HTTACSS2MEN1KMT2AHDAC6
SCHEMBL2040435 0.83 HTT (0.45) HTTACSS2MEN1KMT2ATP53
SCHEMBL2021620 0.83 HTT (0.45) HTTACSS2MEN1KMT2A
SCHEMBL2014823 0.82 HTT (0.45) HTTMEN1KMT2ATP53LMNA
SCHEMBL2016331 0.82 HTT (0.52) HTTACSS2MEN1KMT2ATP53
SCHEMBL2015541 0.81 HTT (0.46) HTTACSS2

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