SCHEMBL2016153

SCHEMBL2016153

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.44
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PPARG P37231 1/20 0.37
CTSA P10619 2/20 0.37
HDAC6 Q9UBN7 1/20 0.37
TP53 P04637 3/20 0.36
GRM5 P41594 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 2/20 0.36
THPO P40225 2/20 0.36
HSD17B10 Q99714 2/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
PIK3CD O00329 1/20 0.35
SCNN1A P37088 3/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 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
Iodide SCHEMBL2019625 0.99 HTT (0.43) HTTMEN1KMT2APPARGCTSA
SCHEMBL2019895 0.92 HTT (0.44) HTTMEN1KMT2APPARGCTSA
Iodide SCHEMBL2019374 0.91 HTT (0.43) HTTMEN1KMT2APPARGCTSA
SCHEMBL2040435 0.90 HTT (0.45) HTTMEN1KMT2ACTSATP53
SCHEMBL2014823 0.89 HTT (0.45) HTTMEN1KMT2ACTSATP53
SCHEMBL2016331 0.89 HTT (0.52) HTTMEN1KMT2ACTSATP53
SCHEMBL2054239 0.88 HTT (0.44) HTTMEN1KMT2APPARGHDAC6
Iodide SCHEMBL2051757 0.87 HTT (0.43) HTTMEN1KMT2APPARGHDAC6
SCHEMBL2020338 0.87 HTT (0.46) HTTMEN1KMT2ACTSATP53
SCHEMBL2017836 0.87 HTT (0.46) HTTMEN1KMT2AHDAC6TP53

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