SCHEMBL7463485

SCHEMBL7463485

CC(=O)NCC1CC(c2ccc(F)cc2)=NO1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.53
APAF1 O14727 1/20 0.53
GRK2 P25098 1/20 0.53
APOBEC3G Q9HC16 1/20 0.53
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MIF P14174 6/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
MAPK10 P53779 2/20 0.50
HDAC6 Q9UBN7 1/20 0.50
CYP1A2 P05177 1/20 0.50
MAPT P10636 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
LMNA P02545 1/20 0.49
ALDH1A1 P00352 1/20 0.49

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
SCHEMBL7506811 0.87 RAB9A (0.52) NPC1RAB9ASMN1; SMN2MIFHDAC6
SCHEMBL7470351 0.86 MIF (0.60) NPC1RAB9ASMN1; SMN2MIFHDAC6
SCHEMBL7505962 0.86 RAB9A (0.51) NPC1RAB9ASMN1; SMN2MIFHDAC6
SCHEMBL7505956 0.86 RAB9A (0.51) NPC1RAB9ASMN1; SMN2MIFHDAC6
SCHEMBL13298912 0.85 MIF (0.59) NPC1RAB9ASMN1; SMN2MIFHDAC6
SCHEMBL7507447 0.85 RAB9A (0.50) NPC1RAB9ASMN1; SMN2MIFHDAC6
SCHEMBL13438275 0.84 RAB9A (0.52) NPC1RAB9ASMN1; SMN2MIFHDAC6
SCHEMBL3327267 0.83 MIF (0.57) NPC1RAB9ASMN1; SMN2MIFHDAC6
SCHEMBL7464403 0.83 MIF (0.53) NPC1RAB9ASMN1; SMN2MIFHDAC6
SCHEMBL3325154 0.81 MIF (0.55) NPC1RAB9ASMN1; SMN2MIFHDAC6

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