SCHEMBL12065744

SCHEMBL12065744

CCOC(=O)c1nc(C)n2c1COc1cc(F)c(Cl)cc1-2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLP1R P43220 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
HTT P42858 2/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 4/20 0.34
TP53 P04637 3/20 0.34
HSD17B10 Q99714 3/20 0.34
NPC1 O15118 3/20 0.34
MAPT P10636 2/20 0.34
XBP1 P17861 1/20 0.34
MAPK1 P28482 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TLR9 Q9NR96 1/20 0.34
KDM4E B2RXH2 4/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34
RAB9A P51151 2/20 0.33
HPGD P15428 2/20 0.33
HSP90AA1 P07900 1/20 0.33

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
SCHEMBL7454766 0.83 GABRG2 (0.44) ALDH1A1TP53HSD17B10NPC1MAPT
SCHEMBL7457970 0.81 SLC5A1 (0.41) ALDH1A1TP53MAPTNPSR1SMN1; SMN2
SCHEMBL7454790 0.79 L3MBTL1 (0.39) GLP1RL3MBTL1HTTALDH1A1TP53
SCHEMBL7449989 0.79 GLP1R (0.35) GLP1RL3MBTL1HTTALDH1A1TP53
SCHEMBL7454183 0.69 GRM5 (0.40) ALDH1A1NPC1MAPTNPSR1KDM4E
SCHEMBL16333953 0.67 MAPT (0.39) HTTALDH1A1TP53HSD17B10NPC1
SCHEMBL7306662 0.67 NPSR1 (0.42) ALDH1A1TP53MAPTNPSR1KDM4E
SCHEMBL7452701 0.66 LMNA (0.46) ALDH1A1TP53SMN1; SMN2GABRA2GABRB2
SCHEMBL7634522 0.66 GABRG2 (0.62) ALDH1A1SMN1; SMN2GABRA2GABRB2
SCHEMBL7450868 0.66 GABRG2 (0.44) ALDH1A1HSD17B10NPC1SMN1; SMN2GABRA2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011151361-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-12-08 WO disclosed