SCHEMBL2054239

SCHEMBL2054239

CCn1c(CNC(=O)c2nc(Cl)c(N)cc2N)nc2ccc(Br)cc21

nearest known ligand 0.44

Predicted protein targets (top 10)

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
HDAC6 Q9UBN7 1/20 0.37
TP53 P04637 2/20 0.36
LMNA P02545 1/20 0.36
ACSS2 Q9NR19 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 1/20 0.34

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 SCHEMBL2051757 0.99 HTT (0.43) HTTMEN1KMT2APPARGHDAC6
SCHEMBL2052795 0.92 HTT (0.44) HTTMEN1KMT2APPARGHDAC6
SCHEMBL2016153 0.88 HTT (0.44) HTTMEN1KMT2APPARGHDAC6
Iodide SCHEMBL2019625 0.87 HTT (0.43) HTTMEN1KMT2APPARGHDAC6
SCHEMBL2019895 0.80 HTT (0.44) HTTMEN1KMT2APPARGHDAC6
Iodide SCHEMBL2019374 0.80 HTT (0.43) HTTMEN1KMT2APPARGHDAC6
SCHEMBL2051754 0.79 MEN1 (0.64) HTTMEN1KMT2ATP53LMNA
SCHEMBL2040435 0.78 HTT (0.45) HTTMEN1KMT2ATP53LMNA
SCHEMBL2016331 0.77 HTT (0.52) HTTMEN1KMT2ATP53LMNA
SCHEMBL2053732 0.77 LMNA (0.64) HTTMEN1KMT2ATP53LMNA

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