SCHEMBL2053732

SCHEMBL2053732

CC(C)Cn1c(CNC(=O)c2nc(Cl)c(N)cc2N)nc2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.64
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
POLB P06746 2/20 0.47
TP53 P04637 2/20 0.47
HTT P42858 1/20 0.47
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
RECQL P46063 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43

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 0.88 MEN1 (0.64) LMNAMEN1KMT2APOLBTP53
SCHEMBL2014088 0.87 LMNA (0.65) LMNAMEN1KMT2APOLBTP53
SCHEMBL2052007 0.87 MAPT (0.57) LMNAMEN1KMT2APOLBTP53
SCHEMBL2051417 0.83 TP53 (0.44) LMNAMEN1KMT2ATP53HTT
SCHEMBL2052795 0.77 HTT (0.44) LMNAMEN1KMT2ATP53HTT
SCHEMBL2054239 0.77 HTT (0.44) LMNAMEN1KMT2ATP53HTT
Iodide SCHEMBL2051757 0.77 HTT (0.43) LMNAMEN1KMT2ATP53HTT
SCHEMBL2015349 0.76 HTT (0.57) LMNAMEN1KMT2APOLBTP53
SCHEMBL2018696 0.75 MEN1 (0.65) LMNAMEN1KMT2APOLBTP53
SCHEMBL2016412 0.73 TP53 (0.56) LMNAMEN1KMT2APOLBTP53

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