SCHEMBL7469769

SCHEMBL7469769

CC(=O)NCC1CC(c2cc(F)c(N3CCNCC3)c(F)c2)=NO1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MIF P14174 15/20 0.44
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
LMNA P02545 1/20 0.38
PTGS1 P23219 1/20 0.38
CALML3 P27482 1/20 0.38
SDHA P31040 1/20 0.38
RAB9A P51151 2/20 0.37
HDAC6 Q9UBN7 1/20 0.36
NPC1 O15118 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL7469138 0.89 MAOA (0.48) MIFMAOAMAOBLMNAPTGS1
SCHEMBL7469527 0.88 MIF (0.50) MIFMAOAMAOBLMNAPTGS1
SCHEMBL7467874 0.85 MIF (0.42) MIFMAOAMAOBLMNAPTGS1
SCHEMBL7464403 0.82 MIF (0.53) MIFRAB9AHDAC6NPC1SMN1; SMN2
SCHEMBL6341278 0.82 RAB9A (0.47) MIFRAB9AHDAC6NPC1SMN1; SMN2
SCHEMBL7469203 0.79 MIF (0.43) MIFRAB9AHDAC6NPC1SMN1; SMN2
SCHEMBL7463499 0.78 RAB9A (0.52) MIFMAOAMAOBLMNAPTGS1
SCHEMBL7463009 0.78 MIF (0.53) MIFMAOAMAOBLMNAPTGS1
Piperidine SCHEMBL27703289 0.78 KDR (0.46) MIFMAOAMAOBLMNAPTGS1
SCHEMBL7470351 0.78 MIF (0.60) MIFRAB9AHDAC6NPC1SMN1; SMN2

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