SCHEMBL7464403

SCHEMBL7464403

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

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MIF P14174 18/20 0.53
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
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
SCHEMBL7506939 0.84 MIF (0.46) MIFNPC1RAB9ASMN1; SMN2HDAC6
SCHEMBL7503321 0.83 MIF (0.45) MIFNPC1RAB9ASMN1; SMN2HDAC6
SCHEMBL7469138 0.83 MAOA (0.48) MIFRAB9AHDAC6
SCHEMBL7463485 0.83 POLB (0.53) MIFNPC1RAB9ASMN1; SMN2HDAC6
SCHEMBL3325154 0.83 MIF (0.55) MIFNPC1RAB9ASMN1; SMN2HDAC6
SCHEMBL7475040 0.83 MIF (0.55) MIFNPC1RAB9ASMN1; SMN2HDAC6
SCHEMBL7469769 0.82 MIF (0.44) MIFNPC1RAB9ASMN1; SMN2HDAC6

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