SCHEMBL8801448

SCHEMBL8801448

CC(=S)NC[C@H]1CN(c2csc3ncc(C)cc23)C(=O)O1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.39
MAOB P27338 5/20 0.39
LMNA P02545 1/20 0.38
PTGS1 P23219 1/20 0.38
CALML3 P27482 1/20 0.38
SDHA P31040 1/20 0.38
F10 P00742 9/20 0.36
ABCB11 O95342 1/20 0.34

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
SCHEMBL8802028 0.91 MAOA (0.46) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL8802647 0.82 MAOA (0.40) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL8564138 0.82 MAOA (0.40) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL8801446 0.80 MAOA (0.38) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL8802258 0.73 MAOA (0.49) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL8566304 0.73 MAOA (0.49) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL8802025 0.71 MAOA (0.47) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL8802639 0.69 MAOA (0.42) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL8559609 0.68 MAOA (0.40) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL8563892 0.67 MAOA (0.46) MAOAMAOBCALML3F10

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-0785200-A2 Pyridoannelated thienyl and furamyl-oxazolidinones BAYER AG (DE) 1997-07-23 EP claimed