SCHEMBL2015344

SCHEMBL2015344

CCn1c(CNC(=O)c2nc(Cl)c(N)nc2N)nc2ccc(-c3ccc(C)cc3)cc21

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.47
CTSA P10619 2/20 0.41
PPARG P37231 2/20 0.38
MAPT P10636 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TP53 P04637 4/20 0.37
LMNA P02545 1/20 0.36
NTRK1 P04629 1/20 0.36
NTRK2 Q16620 1/20 0.36
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RORC P51449 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
SCHEMBL2016331 0.93 HTT (0.52) HTTCTSAMAPTMEN1KMT2A
SCHEMBL2017964 0.90 SCNN1A (0.44) HTTCTSAPPARGMAPTTP53
SCHEMBL2040435 0.88 HTT (0.45) HTTCTSAMAPTMEN1KMT2A
SCHEMBL2014823 0.87 HTT (0.45) HTTCTSAMEN1KMT2ATP53
SCHEMBL2016153 0.87 HTT (0.44) HTTCTSAPPARGMAPTMEN1
Iodide SCHEMBL2019625 0.86 HTT (0.43) HTTCTSAPPARGMAPTMEN1
SCHEMBL2017836 0.86 HTT (0.46) HTTMEN1KMT2ATP53LMNA
SCHEMBL2020338 0.86 HTT (0.46) HTTCTSAMAPTMEN1KMT2A
SCHEMBL2018438 0.85 SCNN1A (0.44) HTTMAPTTP53SMN1; SMN2
SCHEMBL12635756 0.85 HTT (0.49) HTTMEN1KMT2A

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