SCHEMBL8559609

SCHEMBL8559609

CC(=S)NC[C@H]1CN(c2cc3cccnc3s2)C(=O)O1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.40
MAOB P27338 3/20 0.40
F10 P00742 11/20 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
CYP2A6 P11509 2/20 0.37

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
SCHEMBL8802639 0.85 MAOA (0.42) MAOAMAOBF10LMNAPTGS1
SCHEMBL8801446 0.84 MAOA (0.38) MAOAMAOBF10LMNAPTGS1
SCHEMBL7812434 0.78 F10 (0.41) MAOAMAOBF10LMNAPTGS1
SCHEMBL8802025 0.75 MAOA (0.47) MAOAMAOBF10LMNAPTGS1
SCHEMBL9029477 0.69 MAOA (0.47) MAOAMAOBF10LMNAPTGS1
Hydrochloric Acid SCHEMBL8695876 0.69 MAOA (0.54) MAOAMAOBF10LMNAPTGS1
SCHEMBL78334 0.69 F10 (0.60) F10
SCHEMBL8802585 0.69 CYP2A6 (0.37) CYP2A6
SCHEMBL8564138 0.69 MAOA (0.40) MAOAMAOBF10LMNAPTGS1
SCHEMBL8802647 0.69 MAOA (0.40) MAOAMAOBF10LMNAPTGS1

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
US-5827857-A BACTERICIDES AND MICROBIOCIDES; GRAMPOSITIVE BACTERIA, HEMOPHILUS INFLUENZA, ANAEROBIC MICROORGANISMS AND MYCOBACTERIA; LOW TOXICITY BAYER AKTIENGESELLSCHAFT (DE) 1998-10-27 US claimed
EP-0785200-A2 Pyridoannelated thienyl and furamyl-oxazolidinones BAYER AG (DE) 1997-07-23 EP claimed