SCHEMBL7449989

SCHEMBL7449989

CCOC(=O)c1nc(C)n2c1CSc1cc(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
ALDH1A1 P00352 3/20 0.34
NPSR1 Q6W5P4 2/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
XBP1 P17861 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TLR9 Q9NR96 1/20 0.34
GABRA2 P47869 5/20 0.34
GABRB2 P47870 5/20 0.34
PPOX P50336 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
GABRA1 P14867 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 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
SCHEMBL7450868 0.83 GABRG2 (0.44) ALDH1A1NPC1HSD17B10GABRA2GABRB2
SCHEMBL7457553 0.83 GABRA2 (0.46) NPSR1MAPTMAPK1GABRA2GABRB2
SCHEMBL7458456 0.83 LMNA (0.45) NPSR1NPC1MAPTHTTGABRA2
SCHEMBL7458627 0.81 SLC5A1 (0.41) ALDH1A1NPSR1TP53MAPTHPGD
SCHEMBL7454183 0.79 GRM5 (0.40) ALDH1A1NPSR1NPC1MAPTGABRA2
SCHEMBL7454790 0.79 L3MBTL1 (0.39) GLP1RL3MBTL1ALDH1A1NPSR1NPC1
SCHEMBL12065744 0.79 GLP1R (0.35) GLP1RL3MBTL1ALDH1A1NPSR1NPC1
SCHEMBL7454502 0.78 NPSR1 (0.48) L3MBTL1ALDH1A1NPSR1TP53MAPT
SCHEMBL7451577 0.75 GRM5 (0.55) NPC1MAPTKDM4E
SCHEMBL7452821 0.69 HSD17B3 (0.35) ALDH1A1NPSR1MAPTGABRA2GABRB2

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