SCHEMBL2052007

SCHEMBL2052007

Nc1cc(N)c(C(=O)NCc2nc3ccccc3n2Cc2ccccc2)nc1Cl

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.57
TP53 P04637 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.49
POLB P06746 1/20 0.49
LMNA P02545 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
HTT P42858 1/20 0.45
THRB P10828 1/20 0.45

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
SCHEMBL2051754 0.87 MEN1 (0.64) MAPTTP53SMN1; SMN2POLBLMNA
SCHEMBL2053732 0.87 LMNA (0.64) MAPTTP53SMN1; SMN2POLBLMNA
SCHEMBL2016412 0.87 TP53 (0.56) MAPTTP53SMN1; SMN2POLBLMNA
SCHEMBL2051417 0.84 TP53 (0.44) MAPTTP53SMN1; SMN2LMNAMEN1
SCHEMBL2046127 0.79 MAPT (0.66) MAPTTP53SMN1; SMN2POLBLMNA
SCHEMBL29625044 0.77 MAPT (0.52) MAPTTP53SMN1; SMN2POLBLMNA
SCHEMBL20209486 0.77 MAPT (0.52) MAPTTP53SMN1; SMN2POLBLMNA
SCHEMBL2054239 0.76 HTT (0.44) MAPTTP53SMN1; SMN2LMNAMEN1
SCHEMBL2052795 0.76 HTT (0.44) TP53LMNAMEN1KMT2AHTT
Iodide SCHEMBL2051757 0.75 HTT (0.43) MAPTTP53SMN1; SMN2LMNAMEN1

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