SCHEMBL7454502

SCHEMBL7454502

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

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.48
BCHE P06276 2/20 0.45
MAPT P10636 3/20 0.41
GAA P10253 2/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TP53 P04637 2/20 0.41
ALOX12 P18054 1/20 0.41
GABRG2 P18507 4/20 0.40
GABRB3 P28472 4/20 0.40
GABRA5 P31644 4/20 0.40
GABRA1 P14867 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
LMNA P02545 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL7455772 0.88 NPSR1 (0.46) NPSR1BCHEMAPTGAAMAPK1
SCHEMBL13313 0.88 NPSR1 (0.46) NPSR1BCHEMAPTGAAMAPK1
SCHEMBL7445793 0.85 NPSR1 (0.44) NPSR1BCHEMAPTGAAMAPK1
SCHEMBL7450722 0.85 NPSR1 (0.44) NPSR1BCHEMAPTGAAMAPK1
SCHEMBL7450868 0.84 GABRG2 (0.44) SMN1; SMN2HSD17B10GABRG2GABRB3GABRA5
SCHEMBL7457553 0.84 GABRA2 (0.46) NPSR1MAPTMAPK1GABRG2GABRB3
SCHEMBL7458456 0.84 LMNA (0.45) NPSR1MAPTGAASMN1; SMN2GABRG2
SCHEMBL7454361 0.79 TP53 (0.52) NPSR1BCHEMAPTGAAMAPK1
SCHEMBL7454322 0.79 GABRG2 (0.58) NPSR1GABRG2GABRB3GABRA5GABRA1
SCHEMBL7449989 0.78 GLP1R (0.35) NPSR1MAPTMAPK1SMN1; SMN2HSD17B10

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