SCHEMBL2016915

SCHEMBL2016915

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

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
NPC1 O15118 2/20 0.46
NLRP3 Q96P20 1/20 0.46
PPARG P37231 3/20 0.45
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
RAB9A P51151 1/20 0.43
SCNN1A P37088 5/20 0.40
ADORA3 P0DMS8 1/20 0.39
ADORA1 P30542 1/20 0.39
NPSR1 Q6W5P4 1/20 0.37
ALK Q9UM73 1/20 0.37
TARBP2 Q15633 1/20 0.37
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL2017353 0.94 MAPT (0.52) MAPTNPC1NLRP3PPARGCYP1A2
SCHEMBL12635938 0.93 MAPT (0.46) MAPTNPC1NLRP3CYP1A2CYP3A4
SCHEMBL2018223 0.85 ADORA2A (0.40) MAPTNPC1NLRP3RAB9ANPSR1
SCHEMBL2017964 0.85 SCNN1A (0.44) MAPTNPC1NLRP3PPARGCYP1A2
SCHEMBL12635742 0.85 CHEK2 (0.41) MAPTNPC1NLRP3PPARGNPSR1
SCHEMBL12636281 0.85 SMN1; SMN2 (0.38) MAPTNPC1NLRP3PPARGRAB9A
SCHEMBL12635760 0.83 SCNN1A (0.38) MAPTNPC1NLRP3PPARGSCNN1A
SCHEMBL2014866 0.82 SMN1; SMN2 (0.52) MAPTNPC1CYP1A2CYP3A4CYP2D6
Iodide SCHEMBL2016181 0.82 SCNN1A (0.38) MAPTNPC1NLRP3PPARGSCNN1A
SCHEMBL12636304 0.81 SCNN1A (0.38) MAPTNPC1NLRP3SCNN1ATARBP2

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