SCHEMBL2017976

SCHEMBL2017976

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

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.40
S1PR1 P21453 1/20 0.37
LMNA P02545 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ACSS2 Q9NR19 1/20 0.36
CTSA P10619 2/20 0.36
SCNN1A P37088 4/20 0.36
KCNH2 Q12809 2/20 0.36
MAP4K4 O95819 2/20 0.35
TP53 P04637 2/20 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
SCHEMBL2018438 0.89 SCNN1A (0.44) HTTS1PR1ACSS2SCNN1ATP53
SCHEMBL2016536 0.88 HTT (0.42) HTTACSS2CTSASCNN1AKCNH2
SCHEMBL2022069 0.88 ACSS2 (0.47) HTTMEN1KMT2AACSS2CTSA
SCHEMBL12635952 0.88 HTT (0.41) HTTS1PR1MEN1KMT2AACSS2
SCHEMBL2019267 0.87 HTT (0.39) HTTLMNAMEN1KMT2AACSS2
SCHEMBL2018430 0.87 ACSS2 (0.42) HTTMEN1KMT2AACSS2SCNN1A
SCHEMBL2015793 0.85 KCNH2 (0.49) HTTMEN1KMT2AACSS2SCNN1A
SCHEMBL12635701 0.85 ACSS2 (0.49) HTTS1PR1ACSS2SCNN1AKCNH2
SCHEMBL2040435 0.85 HTT (0.45) HTTLMNAMEN1KMT2AACSS2
SCHEMBL2017964 0.85 SCNN1A (0.44) HTTS1PR1ACSS2CTSASCNN1A

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