SCHEMBL3825545

SCHEMBL3825545

COc1ccc(-c2ccsc2)c(NC(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IDH2 P48735 12/20 0.53
MAOB P27338 2/20 0.47
MAOA P21397 1/20 0.47
SIK1 P57059 1/20 0.43
SIK2 Q9H0K1 1/20 0.43
SIK3 Q9Y2K2 1/20 0.43
GPR35 Q9HC97 1/20 0.42
NPC1 O15118 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
PDGFRB P09619 2/20 0.41
PDGFRA P16234 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
SCHEMBL3825279 0.83 IDH2 (0.56) IDH2GPR35
SCHEMBL5106389 0.81 KDM4E (0.53) NPC1SMN1; SMN2
SCHEMBL3846891 0.79 IDH2 (0.51) IDH2
SCHEMBL3827067 0.79 IDH2 (0.52) IDH2
SCHEMBL5991829 0.76 MAOB (0.52) MAOBMAOASIK1SIK2SIK3
SCHEMBL3831632 0.75 HCRTR1 (0.49) IDH2
SCHEMBL3831610 0.74 P2RY14 (0.46) IDH2GPR35SMN1; SMN2
SCHEMBL10179873 0.74 MCHR1 (0.42)
SCHEMBL10762758 0.73 SIK1 (0.60) MAOBMAOASIK1SIK2SIK3
SCHEMBL5106415 0.73 MAPT (0.51) NPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1765339-A4 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2009-09-02 EP claimed
EP-1765339-A2 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2007-03-28 EP claimed
WO-2006005057-A2 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2006-01-12 WO claimed