SCHEMBL7475040

SCHEMBL7475040

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

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MIF P14174 17/20 0.55
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
HDAC6 Q9UBN7 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
SCHEMBL7470351 0.88 MIF (0.60) MIFNPC1RAB9ASMN1; SMN2HDAC6
SCHEMBL13298912 0.86 MIF (0.59) MIFNPC1RAB9ASMN1; SMN2HDAC6
SCHEMBL3327267 0.84 MIF (0.57) MIFNPC1RAB9ASMN1; SMN2HDAC6
SCHEMBL7463009 0.83 MIF (0.53) MIFRAB9ALMNAMAPT
SCHEMBL7464403 0.83 MIF (0.53) MIFNPC1RAB9ASMN1; SMN2HDAC6
SCHEMBL3325154 0.83 MIF (0.55) MIFNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL7470274 0.82 MIF (0.52) MIFNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL7463485 0.81 POLB (0.53) MIFNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL14345346 0.81 MAOB (0.59) MIFNPC1RAB9ALMNA
SCHEMBL7468825 0.81 MAOB (0.59) MIFNPC1RAB9ALMNA

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 4 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 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