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SCHEMBL2015353

SCHEMBL2015353

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

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.38
▸ SCNN1A P37088 4/20 0.34
▸ TSHR P16473 1/20 0.34
▸ TP53 P04637 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ACSS2 Q9NR19 4/20 0.33
▸ CTSA P10619 1/20 0.33

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
SCHEMBL2018304 0.86 HTT (0.40) HTTSCNN1ATSHRTP53KMT2A
SCHEMBL2018438 0.83 SCNN1A (0.44) HTTSCNN1ATP53ACSS2
Iodide SCHEMBL2018152 0.83 SCNN1A (0.40) SCNN1A
SCHEMBL12635701 0.82 ACSS2 (0.49) HTTSCNN1AACSS2
SCHEMBL2015541 0.82 HTT (0.46) HTTTSHRACSS2
SCHEMBL2040435 0.82 HTT (0.45) HTTTSHRTP53MEN1KMT2A
SCHEMBL2020165 0.82 ACSS2 (0.46) HTTSCNN1ATSHRMEN1KMT2A
SCHEMBL2014823 0.81 HTT (0.45) HTTSCNN1ATSHRTP53MEN1
SCHEMBL2016331 0.81 HTT (0.52) HTTSCNN1ATSHRTP53MEN1
SCHEMBL12636338 0.81 SCNN1A (0.40) HTTSCNN1ATSHRTP53KMT2A

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