SCHEMBL2018223

SCHEMBL2018223

CCn1c(COC(=O)c2nc(Cl)c(N)nc2N)nc2ccc(C)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.40
MAPT P10636 4/20 0.40
GAA P10253 1/20 0.40
NPC1 O15118 2/20 0.39
MEN1 O00255 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
NLRP3 Q96P20 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.39
TLR8 Q9NR97 1/20 0.38
ACSS2 Q9NR19 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PKM P14618 1/20 0.38
RPS6KA5 O75582 1/20 0.37
HTT P42858 2/20 0.37
KCNH2 Q12809 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NTRK1 P04629 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
SCHEMBL12636281 0.89 SMN1; SMN2 (0.38) ADORA2AMAPTNPC1MEN1RAB9A
SCHEMBL12635938 0.88 MAPT (0.46) MAPTNPC1RAB9ANLRP3ACSS2
SCHEMBL2014866 0.86 SMN1; SMN2 (0.52) MAPTGAANPC1MEN1RAB9A
SCHEMBL2016915 0.85 MAPT (0.46) MAPTNPC1RAB9ANLRP3SMN1; SMN2
SCHEMBL12635742 0.84 CHEK2 (0.41) ADORA2AMAPTNPC1MEN1KMT2A
SCHEMBL2016331 0.83 HTT (0.52) MAPTGAANPC1MEN1KMT2A
SCHEMBL12635727 0.79 ALDH1A1 (0.36) ADORA2AMAPTGAANPC1MEN1
SCHEMBL2017353 0.79 MAPT (0.52) MAPTNPC1RAB9ANLRP3NPSR1
Iodide SCHEMBL2021861 0.79 KDM4E (0.35) ADORA2AMAPTGAAMEN1KMT2A
Iodide SCHEMBL2018595 0.78 DRD5 (0.39) ADORA2AMAPTGAANPC1RAB9A

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