Diloxanide Furoate

Diloxanide Furoate

SCHEMBL5267780

CCC(C)(NC(=O)c1cc(Cl)c(C)c(Cl)c1)C(=O)CCl.CN(C(=O)C(Cl)Cl)c1ccc(OC(=O)c2ccco2)cc1

nearest known ligand 0.58

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 18/20 0.58
ALDH1A1 P00352 4/20 0.58
CYP3A4 P08684 2/20 0.58
HIF1A Q16665 1/20 0.58
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
TP53 P04637 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
RECQL P46063 1/20 0.37
KDM4E B2RXH2 4/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MAPT P10636 6/20 0.36
GLA P06280 2/20 0.35
GAA P10253 2/20 0.35
CASP1 P29466 2/20 0.35
CASP7 P55210 2/20 0.35
HSD17B10 Q99714 2/20 0.35

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
Zoxamide SCHEMBL27833439 0.78 KMT2A (0.42) KMT2AALDH1A1NPC1RAB9ATP53
Diloxanide Furoate SCHEMBL23381 0.77 KMT2A (1.00) KMT2AALDH1A1CYP3A4HIF1ANPC1
Diloxanide Furoate SCHEMBL4706808 0.76 KMT2A (0.97) KMT2AALDH1A1CYP3A4HIF1ANPC1
Zoxamide SCHEMBL170285 0.73 LMNA (0.36) KMT2AALDH1A1CYP3A4CYP1A2CYP2C9
Zoxamide SCHEMBL70113 0.73 LMNA (0.36) KMT2AALDH1A1CYP3A4CYP1A2CYP2C9
Zoxamide SCHEMBL7170744 0.73 LMNA (0.36) KMT2AALDH1A1CYP3A4CYP1A2CYP2C9
Zoxamide SCHEMBL17701171 0.72 LMNA (0.35) KMT2AALDH1A1CYP3A4CYP1A2CYP2C9
Zoxamide SCHEMBL14676134 0.69 GAA (0.35) KMT2AALDH1A1CYP3A4CYP1A2CYP2C9
Zoxamide SCHEMBL17701155 0.69 DDR1 (0.33) KMT2AALDH1A1CYP3A4CYP1A2CYP2C9
Zoxamide SCHEMBL7167110 0.67 POLB (0.39) KMT2AALDH1A1CYP3A4CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1765072-A1 USE OF PHOSPHATED ALCANOLS AS DISPERSANTS, EMULSIFIERS, HYDROTROPES, WETTING AGENTS AND COMPATABILITY AGENTS IN AGRICULTURAL COMPOSITIONS Akzo Nobel N.V. (NL) 2007-03-28 EP disclosed
WO-2006019772-A1 USE OF PHOSPHATED ALCANOLS AS DISPERSANTS, EMULSIFIERS, HYDROTROPES, WETTING AGENTS AND COMPATABILITY AGENTS IN AGRICULTURAL COMPOSITIONS AKZO NOBEL N.V. (NL) 2006-02-23 WO disclosed