SCHEMBL6930385

SCHEMBL6930385

Cc1nn(C)c2sc(COS(C)(=O)=O)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM3 Q86V86 1/20 0.46
PIM2 Q9P1W9 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.39
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 2/20 0.39
HTT P42858 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 2/20 0.39
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 1/20 0.37
SLC16A3 O15427 1/20 0.34
SLC16A1 P53985 1/20 0.34
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
KDM4E B2RXH2 5/20 0.33
ALDH1A1 P00352 4/20 0.32
HPGD P15428 3/20 0.32
POLB P06746 2/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL12806939 0.76 PIM3 (0.51) PIM3PIM2L3MBTL1MAPTSMN1; SMN2
SCHEMBL3083301 0.74 PIM3 (0.54) PIM3PIM2L3MBTL1MAPTSMN1; SMN2
SCHEMBL13283350 0.68 PIM3 (0.57) PIM3PIM2MAPTSMN1; SMN2MEN1
SCHEMBL13529492 0.67 L3MBTL1 (0.43) PIM3PIM2L3MBTL1MAPTSMN1; SMN2
SCHEMBL4364406 0.65 BCHE (0.41) SMN1; SMN2HTTLMNAKDM4EALDH1A1
SCHEMBL22860003 0.65
SCHEMBL17595984 0.64 KDM4E (0.37) LMNAKDM4EALDH1A1USP2
SCHEMBL20239461 0.64 PIM3 (0.74) PIM3PIM2L3MBTL1MAPTSMN1; SMN2
SCHEMBL1520694 0.64 PIM3 (0.74) PIM3PIM2L3MBTL1MAPTSMN1; SMN2
SCHEMBL23088305 0.63 SELE (0.33)

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011012622-A1 BENZOXAZINONE DERIVATIVES FOR THE TREATMENT OF GLYTL MEDIATED DISORDERS GLAXO GROUP LIMITED (GB) 2011-02-03 WO disclosed