SCHEMBL12634871

SCHEMBL12634871

Cn1c(CNC(=O)c2nc(Cl)c(N)nc2N)[n+](C)c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.43
SCNN1A P37088 10/20 0.42
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 3/20 0.42
HPGD P15428 3/20 0.42
HSD17B10 Q99714 3/20 0.42
NPC1 O15118 2/20 0.42
GLA P06280 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
NFKB1 P19838 2/20 0.42
THPO P40225 2/20 0.42
HIF1A Q16665 2/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
FTO Q9C0B1 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
RAB9A P51151 1/20 0.42
CTSA P10619 2/20 0.41

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
SCHEMBL12636313 0.89 MEN1 (0.41) GRM5SCNN1AALDH1A1KDM4EHPGD
Iodide SCHEMBL2016298 0.88 MEN1 (0.41) GRM5SCNN1AALDH1A1KDM4EHPGD
SCHEMBL12635944 0.87 SCNN1A (0.39) GRM5SCNN1AALDH1A1KDM4EHPGD
SCHEMBL12636316 0.87 SCNN1A (0.45) GRM5SCNN1AALDH1A1KDM4EHPGD
Iodide SCHEMBL2015549 0.86 SCNN1A (0.39) GRM5SCNN1AALDH1A1KDM4EHPGD
Iodide SCHEMBL2051325 0.86 SCNN1A (0.45) GRM5SCNN1AALDH1A1KDM4EHPGD
SCHEMBL12635762 0.86 LMNA (0.43) GRM5SCNN1AALDH1A1KDM4EHPGD
SCHEMBL12634893 0.86 GRM5 (0.37) GRM5SCNN1AALDH1A1KDM4EHPGD
Iodide SCHEMBL2015967 0.85 LMNA (0.42) GRM5SCNN1AALDH1A1KDM4EHPGD
Iodide SCHEMBL2014861 0.85 GRM5 (0.37) GRM5SCNN1AALDH1A1KDM4EHPGD

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