SCHEMBL7478325

SCHEMBL7478325

CC(=S)NCC1CC(c2ccc(N3CC[S+]([O-])CC3)c(F)c2)=NO1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.45
MIF P14174 16/20 0.44
NPC1 O15118 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
LMNA P02545 1/20 0.36
PTGS1 P23219 1/20 0.36
CALML3 P27482 1/20 0.36
SDHA P31040 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
SCHEMBL7473717 0.91 MIF (0.48) RAB9AMIFMAOAMAOBLMNA
SCHEMBL7474027 0.86 MAOA (0.48) RAB9AMIFNPC1SMN1; SMN2MAOA
SCHEMBL7477204 0.82 MIF (0.54) RAB9AMIFNPC1SMN1; SMN2
SCHEMBL7471632 0.82 MIF (0.47) RAB9AMIFNPC1SMN1; SMN2
SCHEMBL5655616 0.80 MIF (0.38) RAB9AMIFMAOA
SCHEMBL5656862 0.80 MIF (0.38) RAB9AMIFMAOA
SCHEMBL7463009 0.80 MIF (0.53) RAB9AMIFMAOAMAOBLMNA
SCHEMBL7468825 0.78 MAOB (0.59) RAB9AMIFNPC1MAOAMAOB
SCHEMBL14345346 0.78 MAOB (0.59) RAB9AMIFNPC1MAOAMAOB
SCHEMBL7471239 0.78 MIF (0.50) RAB9AMIFMAOAMAOBLMNA

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 1 patent. 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