SCHEMBL2016076

SCHEMBL2016076

COC(=O)CCn1c(CNC(=O)c2nc(Cl)c(N)nc2N)nc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
TP53 P04637 2/20 0.48
HPGD P15428 1/20 0.47
ALDH1A1 P00352 1/20 0.46
RECQL P46063 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
HTT P42858 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
SCHEMBL2018182 0.90 MEN1 (0.52) MEN1KMT2ATP53HPGDALDH1A1
SCHEMBL2018696 0.88 MEN1 (0.65) MEN1KMT2ATP53HPGDALDH1A1
SCHEMBL2015349 0.86 HTT (0.57) MEN1KMT2ATP53HPGDSMN1; SMN2
SCHEMBL2014088 0.84 LMNA (0.65) MEN1KMT2ATP53HPGDRECQL
SCHEMBL2016412 0.83 TP53 (0.56) MEN1KMT2ATP53HPGDALDH1A1
SCHEMBL12634893 0.83 GRM5 (0.37) HPGDALDH1A1RECQLSMN1; SMN2LMNA
SCHEMBL17934118 0.82 SCNN1A (0.44) TP53HPGDALDH1A1POLBHTT
Iodide SCHEMBL2014861 0.82 GRM5 (0.37) HPGDALDH1A1RECQLSMN1; SMN2LMNA
SCHEMBL2018304 0.79 HTT (0.40) KMT2ATP53HPGDALDH1A1LMNA
SCHEMBL2018051 0.79 TP53 (0.45) MEN1KMT2ATP53SMN1; SMN2LMNA

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