SCHEMBL7473717

SCHEMBL7473717

CC(=O)NCC1CC(c2ccc(N3CC[S+]([O-])CC3)c(F)c2)=NO1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MIF P14174 16/20 0.48
MAOA P21397 3/20 0.45
MAOB P27338 2/20 0.45
LMNA P02545 1/20 0.45
PTGS1 P23219 1/20 0.45
CALML3 P27482 1/20 0.45
SDHA P31040 1/20 0.45
RAB9A P51151 1/20 0.40
HDAC6 Q9UBN7 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
SCHEMBL7478325 0.91 RAB9A (0.45) MIFMAOAMAOBLMNAPTGS1
SCHEMBL7463009 0.89 MIF (0.53) MIFMAOAMAOBLMNAPTGS1
SCHEMBL7468825 0.87 MAOB (0.59) MIFMAOAMAOBLMNAPTGS1
SCHEMBL14345346 0.87 MAOB (0.59) MIFMAOAMAOBLMNAPTGS1
SCHEMBL7469527 0.87 MIF (0.50) MIFMAOAMAOBLMNAPTGS1
SCHEMBL7471612 0.87 MAOA (0.59) MIFMAOAMAOBLMNAPTGS1
SCHEMBL7471239 0.87 MIF (0.50) MIFMAOAMAOBLMNAPTGS1
SCHEMBL7467858 0.84 MIF (0.48) MIFMAOAMAOBLMNAPTGS1
SCHEMBL27880820 0.83 MIF (0.47) MIFMAOAMAOBLMNAPTGS1
SCHEMBL27684361 0.83 MIF (0.47) MIFMAOAMAOBLMNAPTGS1

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-1054874-B1 SUBSTITUTED AMINOPHENYL ISOXAZOLINE DERIVATIVES USEFUL AS ANTIMICROBIALS UPJOHN CO (US) 2002-08-28 EP claimed