SCHEMBL2014103

SCHEMBL2014103

CCn1c(CNC(=O)c2nc(Cl)c(N)nc2N)nc2cc(-c3ccc(OC)cc3)ccc21

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCNN1A P37088 5/20 0.43
PPARG P37231 2/20 0.43
MAPT P10636 6/20 0.42
NPC1 O15118 2/20 0.42
NLRP3 Q96P20 1/20 0.42
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.39
CTSA P10619 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
F2 P00734 1/20 0.38
GAA P10253 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL2017964 0.94 SCNN1A (0.44) SCNN1APPARGMAPTNPC1NLRP3
SCHEMBL2018438 0.87 SCNN1A (0.44) SCNN1AMAPTHTTSMN1; SMN2TP53
SCHEMBL2017353 0.86 MAPT (0.52) SCNN1APPARGMAPTNPC1NLRP3
SCHEMBL2018490 0.85 KDM4E (0.53) SCNN1AMAPTNPC1NLRP3HTT
SCHEMBL2015344 0.84 HTT (0.47) PPARGMAPTHTTSMN1; SMN2TP53
SCHEMBL2019895 0.83 HTT (0.44) PPARGHTTTP53CTSAHDAC6
SCHEMBL2019532 0.83 HDAC6 (0.49) SCNN1APPARGMAPTHTTKDM4E
Iodide SCHEMBL2019374 0.83 HTT (0.43) PPARGHTTTP53CTSAHDAC6
SCHEMBL12635745 0.82 SCNN1A (0.42) SCNN1AMAPTSMN1; SMN2TP53CTSA
SCHEMBL2014471 0.81 MAPT (0.52) MAPTNPC1NLRP3HTTKDM4E

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