SCHEMBL9033431

SCHEMBL9033431

CS(=O)(=O)C[C@H]1CN(c2ccc3sccc3c2)C(=O)O1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.44
GRM2 Q14416 5/20 0.42
MAOB P27338 3/20 0.41
MAOA P21397 1/20 0.41
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
KCNH2 Q12809 1/20 0.40
CALML3 P27482 2/20 0.39
CYP17A1 P05093 1/20 0.39

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
SCHEMBL9032610 0.84 MAOA (0.55) CHRNA7GRM2MAOBMAOADRD2
SCHEMBL2823684 0.81 GRM2 (0.63) GRM2
SCHEMBL9034428 0.80 MAOA (0.58) MAOBMAOACALML3
SCHEMBL16685547 0.73 F10 (0.37) GRM2MAOBMAOACALML3
SCHEMBL16685545 0.73 F10 (0.37) GRM2MAOBMAOACALML3
SCHEMBL8867483 0.73 GRM2 (0.39) CHRNA7GRM2MAOBMAOA
SCHEMBL16686051 0.71 F10 (0.37)
SCHEMBL16686054 0.71 F10 (0.37)
SCHEMBL16685979 0.70 MAOA (0.36) GRM2MAOBMAOA
SCHEMBL16685982 0.70 MAOA (0.36) GRM2MAOBMAOA

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
EP-0694544-A1 Benzofuranyl- and benzothienyloxazolidinones BAYER AG (DE) 1996-01-31 EP disclosed