SCHEMBL7477204

SCHEMBL7477204

CC(=S)NCC1CC(c2ccc(F)c(F)c2)=NO1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MIF P14174 16/20 0.54
RAB9A P51151 3/20 0.52
NPC1 O15118 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52

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) MIFRAB9ANPC1SMN1; SMN2
SCHEMBL7471632 0.86 MIF (0.47) MIFRAB9ANPC1SMN1; SMN2
SCHEMBL7474027 0.84 MAOA (0.48) MIFRAB9ANPC1SMN1; SMN2
SCHEMBL7478325 0.82 RAB9A (0.45) MIFRAB9ANPC1SMN1; SMN2
SCHEMBL14350425 0.80 MIF (0.58) MIF
SCHEMBL13298912 0.80 MIF (0.59) MIFRAB9ANPC1SMN1; SMN2
SCHEMBL7471570 0.79 MIF (0.46) MIFRAB9ANPC1SMN1; SMN2
SCHEMBL7463499 0.79 RAB9A (0.52) MIFRAB9ANPC1SMN1; SMN2
SCHEMBL5655222 0.79 MIF (0.56) MIFRAB9ANPC1
SCHEMBL5655218 0.79 MIF (0.56) MIFRAB9ANPC1

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