SCHEMBL2017964

SCHEMBL2017964

CCn1c(CNC(=O)c2nc(Cl)c(N)nc2N)nc2ccc(-c3ccc(OC)cc3)cc21

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCNN1A P37088 5/20 0.44
PPARG P37231 2/20 0.44
HTT P42858 1/20 0.41
MAPT P10636 3/20 0.39
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CTSA P10619 1/20 0.39
ALOX15 P16050 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
S1PR1 P21453 1/20 0.38
ACSS2 Q9NR19 1/20 0.38
NPC1 O15118 2/20 0.37
NLRP3 Q96P20 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL2014103 0.94 SCNN1A (0.43) SCNN1APPARGHTTMAPTTP53
SCHEMBL2018438 0.94 SCNN1A (0.44) SCNN1AHTTMAPTTP53SMN1; SMN2
SCHEMBL2015344 0.90 HTT (0.47) PPARGHTTMAPTTP53SMN1; SMN2
SCHEMBL2016536 0.87 HTT (0.42) SCNN1AHTTCTSAACSS2
SCHEMBL12635952 0.86 HTT (0.41) SCNN1AHTTMAPTTP53SMN1; SMN2
SCHEMBL12635701 0.86 ACSS2 (0.49) SCNN1AHTTS1PR1ACSS2
SCHEMBL2040435 0.86 HTT (0.45) HTTMAPTTP53SMN1; SMN2CTSA
SCHEMBL2018430 0.86 ACSS2 (0.42) SCNN1AHTTACSS2
SCHEMBL2020165 0.85 ACSS2 (0.46) SCNN1AHTTACSS2
SCHEMBL2016915 0.85 MAPT (0.46) SCNN1APPARGMAPTSMN1; SMN2NPC1

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