SCHEMBL6924227

SCHEMBL6924227

O=C1OC(CNC(O)=S)CN1c1ccc(NCCc2ccncc2)c(F)c1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CALML3 P27482 2/20 0.49
F10 P00742 7/20 0.47
MAOB P27338 4/20 0.47
MAOA P21397 4/20 0.47
LMNA P02545 1/20 0.47
PTGS1 P23219 1/20 0.47
SDHA P31040 1/20 0.47

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
SCHEMBL6823177 0.92 MAOB (0.52) CALML3F10MAOBMAOALMNA
SCHEMBL6823170 0.92 MAOB (0.52) CALML3F10MAOBMAOALMNA
SCHEMBL6826703 0.90 MAOA (0.60) CALML3F10MAOBMAOALMNA
SCHEMBL6826085 0.90 MAOA (0.60) CALML3F10MAOBMAOALMNA
SCHEMBL6924214 0.90 F10 (0.49) CALML3F10MAOBMAOALMNA
SCHEMBL6919310 0.81 F10 (0.43) CALML3F10MAOBMAOALMNA
SCHEMBL6920350 0.81 F10 (0.44) CALML3F10MAOBMAOALMNA
SCHEMBL6924220 0.80 CALML3 (0.48) CALML3F10MAOBMAOALMNA
SCHEMBL6924223 0.80 CALML3 (0.48) CALML3F10MAOBMAOALMNA
SCHEMBL6826301 0.77 MAOB (0.52) CALML3F10MAOBMAOALMNA

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-2004101552-A1 OXAZOLIDINONE DERIVATIVES AS ANTIBACTERIAL AGENTS ORCHID CHEMICALS & PHARMACEUTICALS LTD (IN) 2004-11-25 WO disclosed