SCHEMBL7454447

SCHEMBL7454447

CCOC(=O)c1nnn2c1CSc1ccc(Cl)cc1-2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC5A1 P13866 1/20 0.48
SLC5A2 P31639 1/20 0.48
KCNMA1 Q12791 1/20 0.46
LMNA P02545 3/20 0.45
TP53 P04637 1/20 0.43
ALOX12 P18054 1/20 0.43
GABRG2 P18507 3/20 0.43
GABRB3 P28472 3/20 0.43
GABRA5 P31644 3/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA9 Q16790 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRA2 P47869 1/20 0.42
GABRB2 P47870 1/20 0.42
GABRA4 P48169 1/20 0.42
GABRA6 Q16445 1/20 0.42
NPSR1 Q6W5P4 2/20 0.41

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
SCHEMBL7453081 0.91 SLC5A1 (0.51) SLC5A1SLC5A2KCNMA1TP53ALOX12
SCHEMBL7454361 0.84 TP53 (0.52) SLC5A1SLC5A2TP53ALOX12GABRG2
SCHEMBL7458627 0.83 SLC5A1 (0.41) SLC5A1SLC5A2KCNMA1LMNATP53
SCHEMBL7453223 0.80 GABRG2 (0.45) SLC5A1SLC5A2LMNATP53ALOX12
SCHEMBL7458456 0.80 LMNA (0.45) SLC5A1SLC5A2LMNAGABRG2GABRB3
SCHEMBL7449917 0.79 GRM5 (0.57) SLC5A1SLC5A2KCNMA1LMNATP53
SCHEMBL7454858 0.76 SLC5A1 (0.51) SLC5A1SLC5A2KCNMA1TP53ALOX12
SCHEMBL18329289 0.76 SLC5A1 (0.46) SLC5A1SLC5A2KCNMA1TP53ALOX12
SCHEMBL7453711 0.76 GRM5 (0.58) LMNANPSR1KMT2ASMN1; SMN2HSD17B3
SCHEMBL12066859 0.76 MAPK1 (0.52) LMNATP53NPSR1PKMKMT2A

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