SCHEMBL2014097

SCHEMBL2014097

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

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.39
SCNN1A P37088 7/20 0.39
ACSS2 Q9NR19 4/20 0.37
CTSA P10619 1/20 0.37
KCNH2 Q12809 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35
THPO P40225 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL12636338 0.92 SCNN1A (0.40) HTTSCNN1AACSS2KCNH2KMT2A
SCHEMBL2019267 0.87 HTT (0.39) HTTSCNN1AACSS2CTSAKCNH2
SCHEMBL2014255 0.87 HTT (0.41) HTTSCNN1AACSS2CTSAMEN1
SCHEMBL2020338 0.87 HTT (0.46) HTTSCNN1AACSS2CTSAMEN1
SCHEMBL2022069 0.86 ACSS2 (0.47) HTTSCNN1AACSS2CTSAKCNH2
SCHEMBL2014823 0.85 HTT (0.45) HTTSCNN1ACTSAMEN1KMT2A
SCHEMBL2018304 0.84 HTT (0.40) HTTSCNN1AACSS2KMT2ATP53
SCHEMBL2040435 0.84 HTT (0.45) HTTACSS2CTSAMEN1KMT2A
SCHEMBL2017836 0.83 HTT (0.46) HTTSCNN1AACSS2MEN1KMT2A
SCHEMBL2016331 0.83 HTT (0.52) HTTSCNN1AACSS2CTSAMEN1

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