SCHEMBL7471612

SCHEMBL7471612

CC(=O)NCC1CC(c2ccc(N3CCSCC3)c(F)c2)=NO1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.59
MAOB P27338 3/20 0.59
MIF P14174 13/20 0.50
LMNA P02545 1/20 0.46
PTGS1 P23219 1/20 0.46
CALML3 P27482 1/20 0.46
SDHA P31040 1/20 0.46
F10 P00742 2/20 0.46
CYP2C19 P33261 1/20 0.46
RAB9A P51151 1/20 0.41

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
SCHEMBL7474027 0.91 MAOA (0.48) MAOAMAOBMIFLMNAPTGS1
SCHEMBL7463009 0.91 MIF (0.53) MAOAMAOBMIFLMNAPTGS1
SCHEMBL14345346 0.89 MAOB (0.59) MAOAMAOBMIFLMNAPTGS1
SCHEMBL7468825 0.89 MAOB (0.59) MAOAMAOBMIFLMNAPTGS1
SCHEMBL7471239 0.88 MIF (0.50) MAOAMAOBMIFLMNAPTGS1
SCHEMBL7469527 0.88 MIF (0.50) MAOAMAOBMIFLMNAPTGS1
SCHEMBL7473717 0.87 MIF (0.48) MAOAMAOBMIFLMNAPTGS1
SCHEMBL7467858 0.86 MIF (0.48) MAOAMAOBMIFLMNAPTGS1
SCHEMBL27880820 0.85 MIF (0.47) MAOAMAOBMIFLMNAPTGS1
SCHEMBL27684361 0.85 MIF (0.47) MAOAMAOBMIFLMNAPTGS1

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 8 patents. 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
EP-1054874-A1 SUBSTITUTED AMINOPHENYL ISOXAZOLINE DERIVATIVES USEFUL AS ANTIMICROBIALS PHARMACIA & UPJOHN COMPANY (US) 2000-11-29 EP claimed
US-6069141-A BACTERICIDES PHARMACIA & UPJOHN COMPANY (US) 2000-05-30 US claimed
WO-1999041244-A1 SUBSTITUTED AMINOPHENYL ISOXAZOLINE DERIVATIVES USEFUL AS ANTIMICROBIALS PHARMACIA & UPJOHN COMPANY (US) 1999-08-19 WO claimed
EP-1054874-B1 SUBSTITUTED AMINOPHENYL ISOXAZOLINE DERIVATIVES USEFUL AS ANTIMICROBIALS UPJOHN CO (US) 2002-08-28 EP disclosed
EP-1054874-A1 SUBSTITUTED AMINOPHENYL ISOXAZOLINE DERIVATIVES USEFUL AS ANTIMICROBIALS PHARMACIA & UPJOHN COMPANY (US) 2000-11-29 EP disclosed
US-6069141-A BACTERICIDES PHARMACIA & UPJOHN COMPANY (US) 2000-05-30 US disclosed
WO-1999041244-A1 SUBSTITUTED AMINOPHENYL ISOXAZOLINE DERIVATIVES USEFUL AS ANTIMICROBIALS PHARMACIA & UPJOHN COMPANY (US) 1999-08-19 WO disclosed