SCHEMBL2052795

SCHEMBL2052795

CCn1c(CNC(=O)c2nc(Cl)c(N)cc2N)nc2cc(Br)ccc21

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.44
HDAC6 Q9UBN7 1/20 0.43
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HDAC1 Q13547 3/20 0.38
PPARG P37231 1/20 0.37
TP53 P04637 2/20 0.36
LMNA P02545 1/20 0.36
TBXA2R P21731 1/20 0.36
CFTR P13569 1/20 0.35
HDAC8 Q9BY41 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
SCHEMBL2054239 0.92 HTT (0.44) HTTHDAC6MEN1KMT2APPARG
Iodide SCHEMBL2051757 0.91 HTT (0.43) HTTHDAC6MEN1KMT2APPARG
SCHEMBL2019895 0.88 HTT (0.44) HTTHDAC6MEN1KMT2AHDAC1
Iodide SCHEMBL2019374 0.87 HTT (0.43) HTTHDAC6MEN1KMT2AHDAC1
SCHEMBL2016153 0.80 HTT (0.44) HTTHDAC6MEN1KMT2APPARG
Iodide SCHEMBL2019625 0.80 HTT (0.43) HTTHDAC6MEN1KMT2APPARG
SCHEMBL2051754 0.79 MEN1 (0.64) HTTMEN1KMT2ATP53LMNA
SCHEMBL2053732 0.77 LMNA (0.64) HTTMEN1KMT2ATP53LMNA
SCHEMBL2052007 0.76 MAPT (0.57) HTTMEN1KMT2ATP53LMNA
SCHEMBL2019532 0.76 HDAC6 (0.49) HTTHDAC6MEN1KMT2APPARG

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