SCHEMBL2018222

SCHEMBL2018222

CCn1c(CN)nc2ccc(-c3ccc(OC)cc3)cc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51
PPARG P37231 1/20 0.47
KDM4E B2RXH2 7/20 0.45
ALDH1A1 P00352 6/20 0.45
LMNA P02545 3/20 0.45
NPSR1 Q6W5P4 2/20 0.45
TSHR P16473 2/20 0.45
GAA P10253 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
ACSS2 Q9NR19 1/20 0.44
SMN1; SMN2 Q16637 5/20 0.43
TP53 P04637 4/20 0.43
HTT P42858 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42

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
SCHEMBL2018189 0.90 TDP1 (0.53) MAPTNPC1RAB9ACYP1A2CYP3A4
SCHEMBL16406373 0.89 ACSS2 (0.53) MAPTNPC1RAB9ACYP1A2CYP3A4
SCHEMBL2015354 0.87 PPARG (0.52) MAPTNPC1RAB9ACYP1A2CYP3A4
SCHEMBL16408316 0.78 ACSS2 (0.58) MAPTNPC1RAB9ACYP1A2CYP3A4
SCHEMBL2020859 0.76 TDP1 (0.53) MAPTNPC1RAB9ACYP1A2CYP3A4
SCHEMBL12635707 0.76 PPARG (0.45) MAPTNPC1RAB9ACYP1A2CYP3A4
SCHEMBL2020612 0.75 ACSS2 (0.56) MAPTNPC1RAB9ACYP1A2CYP3A4
SCHEMBL2016915 0.75 MAPT (0.46) MAPTNPC1RAB9ACYP1A2CYP3A4
SCHEMBL2016383 0.75 PPARG (0.40) MAPTNPC1RAB9ACYP1A2CYP3A4
SCHEMBL2053736 0.74 PPARG (0.48) MAPTNPC1RAB9ACYP1A2CYP3A4

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