Rafoxanide

Rafoxanide

SCHEMBL8734643

CC(=O)Oc1c(I)cc(I)cc1C(=O)Nc1ccc(Cl)cc1.O=C(Nc1cc(Cl)cc(Cl)c1O)c1c(O)c(Cl)cc(Cl)c1Cl.O=C(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O.O=C(Nc1ccc(Br)cc1)c1cc(Br)ccc1O.O=C(Nc1ccc(Oc2ccc(Cl)cc2)c(Cl)c1)c1cc(I)cc(I)c1O

nearest known ligand 0.52

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Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PNLIP P16233 10/20 0.52
MEN1 O00255 1/20 0.52
HSPD1 P10809 1/20 0.52
PIK3CA P42336 1/20 0.52
HTT P42858 1/20 0.52
BLM P54132 1/20 0.52
HSPE1 P61604 1/20 0.52
KMT2A Q03164 1/20 0.52
POLB P06746 1/20 0.45
NLRP3 Q96P20 1/20 0.45
STK39 Q9UEW8 7/20 0.44
PARG Q86W56 4/20 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
Rafoxanide SCHEMBL22362599 0.83 PNLIP (0.75) PNLIPMEN1HSPD1PIK3CAHTT
Rafoxanide SCHEMBL5310526 0.81 PNLIP (0.79) PNLIPMEN1HSPD1PIK3CAHTT
Rafoxanide SCHEMBL118031 0.72 PNLIP (1.00) PNLIPMEN1HSPD1PIK3CAHTT
Rafoxanide SCHEMBL29422184 0.72 PNLIP (1.00) PNLIPMEN1HSPD1PIK3CAHTT
Clioxanide SCHEMBL5307331 0.71 POLB (0.74) PNLIPMEN1HSPD1PIK3CAHTT
SCHEMBL20413308 0.67 PNLIP (0.84) PNLIPMEN1HSPD1PIK3CAHTT
Clioxanide SCHEMBL29358452 0.67 POLB (1.00) PNLIPMEN1HSPD1PIK3CAHTT
Clioxanide SCHEMBL636665 0.67 POLB (1.00) PNLIPMEN1HSPD1PIK3CAHTT
SCHEMBL23685897 0.66 PNLIP (0.80) PNLIPMEN1HSPD1PIK3CAHTT
SCHEMBL21579434 0.66 PNLIP (0.84) PNLIPMEN1HSPD1PIK3CAHTT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0710105-A4 SYNERGISTIC ANTHELMINTIC COMPOSITIONS UNIV AUSTRALIAN (AU) 1998-06-10 EP disclosed
EP-0710105-A1 SYNERGISTIC ANTHELMINTIC COMPOSITIONS THE AUSTRALIAN NATIONAL UNIVERSITY (AU) 1996-05-08 EP disclosed
WO-1994028887-A1 SYNERGISTIC ANTHELMINTIC COMPOSITIONS THE AUSTRALIAN NATIONAL UNIVERSITY (AU) 1994-12-22 WO disclosed