SCHEMBL2018696

SCHEMBL2018696

CCCn1c(CNC(=O)c2nc(Cl)c(N)nc2N)nc2ccccc21

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.65
KMT2A Q03164 1/20 0.65
TP53 P04637 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.54
POLB P06746 1/20 0.53
HPGD P15428 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
RECQL P46063 1/20 0.52
ALDH1A1 P00352 2/20 0.52
HTT P42858 2/20 0.49
KDM4E B2RXH2 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
ALOX15 P16050 1/20 0.49
MAPK1 P28482 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
LMNA P02545 1/20 0.48
NPC1 O15118 1/20 0.48

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
SCHEMBL2015349 0.92 HTT (0.57) MEN1KMT2ATP53SMN1; SMN2POLB
SCHEMBL2018182 0.90 MEN1 (0.52) MEN1KMT2ATP53SMN1; SMN2POLB
SCHEMBL2016076 0.88 MEN1 (0.50) MEN1KMT2ATP53SMN1; SMN2POLB
SCHEMBL2014088 0.88 LMNA (0.65) MEN1KMT2ATP53SMN1; SMN2POLB
SCHEMBL2051754 0.87 MEN1 (0.64) MEN1KMT2ATP53SMN1; SMN2POLB
SCHEMBL2016412 0.87 TP53 (0.56) MEN1KMT2ATP53SMN1; SMN2POLB
SCHEMBL2018051 0.82 TP53 (0.45) MEN1KMT2ATP53SMN1; SMN2L3MBTL1
SCHEMBL12636313 0.81 MEN1 (0.41) MEN1KMT2ATP53SMN1; SMN2HPGD
Iodide SCHEMBL2016298 0.81 MEN1 (0.41) MEN1KMT2ATP53SMN1; SMN2HPGD
SCHEMBL2040435 0.80 HTT (0.45) MEN1KMT2ATP53SMN1; SMN2ALDH1A1

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