SCHEMBL7455772

SCHEMBL7455772

CCOC(=O)c1nc(Br)n2c1CSc1ccccc1-2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.46
BCHE P06276 1/20 0.40
GABRG2 P18507 8/20 0.40
GABRB3 P28472 8/20 0.40
GABRA5 P31644 8/20 0.40
MAPT P10636 2/20 0.40
SLC5A1 P13866 1/20 0.40
SLC5A2 P31639 1/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TP53 P04637 2/20 0.39
ALOX12 P18054 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.38

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
SCHEMBL7454502 0.88 NPSR1 (0.48) NPSR1BCHEGABRG2GABRB3GABRA5
SCHEMBL13313 0.86 NPSR1 (0.46) NPSR1BCHEGABRG2GABRB3GABRA5
SCHEMBL7445793 0.84 NPSR1 (0.44) NPSR1BCHEGABRG2GABRB3GABRA5
SCHEMBL7450722 0.84 NPSR1 (0.44) NPSR1BCHEGABRG2GABRB3GABRA5
SCHEMBL7454361 0.77 TP53 (0.52) NPSR1BCHEGABRG2GABRB3GABRA5
SCHEMBL7454322 0.77 GABRG2 (0.58) NPSR1GABRG2GABRB3GABRA5GABRA1
SCHEMBL7457553 0.73 GABRA2 (0.46) NPSR1GABRG2GABRB3GABRA5MAPT
SCHEMBL7450868 0.73 GABRG2 (0.44) GABRG2GABRB3GABRA5SMN1; SMN2HSD17B10
SCHEMBL7458456 0.73 LMNA (0.45) NPSR1GABRG2GABRB3GABRA5MAPT
SCHEMBL16935867 0.71 ALDH1A1 (0.54) NPSR1MAPTGAATP53ALOX12

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