SCHEMBL7457553

SCHEMBL7457553

CCOC(=O)c1nc(C)n2c1CSc1cc(Cl)ccc1-2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 8/20 0.46
GABRB2 P47870 8/20 0.46
GABRG2 P18507 3/20 0.46
GABRB3 P28472 3/20 0.46
GABRA5 P31644 3/20 0.46
GABRA1 P14867 1/20 0.46
GABRA3 P34903 1/20 0.46
GABRA4 P48169 1/20 0.46
GABRA6 Q16445 1/20 0.46
SLC5A1 P13866 1/20 0.42
SLC5A2 P31639 1/20 0.42
HSD17B3 P37058 1/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL7458456 0.91 LMNA (0.45) GABRA2GABRB2GABRG2GABRB3GABRA5
SCHEMBL7450868 0.87 GABRG2 (0.44) GABRA2GABRB2GABRG2GABRB3GABRA5
SCHEMBL7453068 0.85 HSD17B3 (0.44) GABRA2GABRB2HSD17B3KMT2AMEN1
SCHEMBL7454502 0.84 NPSR1 (0.48) GABRA2GABRG2GABRB3GABRA5GABRA1
SCHEMBL7449989 0.83 GLP1R (0.35) GABRA2GABRB2GABRG2GABRB3GABRA5
SCHEMBL7454183 0.81 GRM5 (0.40) GABRA2GABRB2GABRG2GABRB3GABRA5
SCHEMBL7453081 0.80 SLC5A1 (0.51) GABRA2GABRB2GABRG2GABRB3GABRA5
SCHEMBL7446764 0.75 GRM5 (0.52) HSD17B3KMT2AMEN1MAPT
SCHEMBL7454447 0.74 SLC5A1 (0.48) GABRA2GABRB2GABRG2GABRB3GABRA5
SCHEMBL13313 0.73 NPSR1 (0.46) GABRA2GABRB2GABRG2GABRB3GABRA5

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