SCHEMBL6919310

SCHEMBL6919310

O=C1OC(CNC(O)=S)CN1c1ccc(NCCc2ncc([N+](=O)[O-])cn2)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 10/20 0.43
MAOA P21397 4/20 0.42
MAOB P27338 4/20 0.42
CALML3 P27482 2/20 0.42
LMNA P02545 1/20 0.42
PTGS1 P23219 1/20 0.42
SDHA P31040 1/20 0.42

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
SCHEMBL6826538 0.93 MAOA (0.47) F10MAOAMAOBCALML3LMNA
SCHEMBL6826524 0.93 MAOA (0.47) F10MAOAMAOBCALML3LMNA
SCHEMBL6919301 0.91 F10 (0.45) F10MAOAMAOBCALML3LMNA
SCHEMBL6920350 0.84 F10 (0.44) F10MAOAMAOBCALML3LMNA
SCHEMBL6919306 0.82 MAOA (0.42) F10MAOAMAOBCALML3LMNA
SCHEMBL6919303 0.82 MAOA (0.42) F10MAOAMAOBCALML3LMNA
SCHEMBL6826256 0.81 MAOA (0.53) F10MAOAMAOBCALML3LMNA
SCHEMBL6826252 0.81 MAOA (0.53) F10MAOAMAOBCALML3LMNA
SCHEMBL6924227 0.81 CALML3 (0.49) F10MAOAMAOBCALML3LMNA
SCHEMBL6826438 0.77 MAOA (0.49) F10MAOAMAOBCALML3LMNA

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