Azoxystrobin

Azoxystrobin

SCHEMBL6424745

CO/C=C(/C(=O)OC)c1ccccc1Oc1cc(Oc2ccccc2C#N)ncn1.[K+].[O-]P(O)O

nearest known ligand 0.89

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Known targets — ChEMBL curated mechanism

AGTR1DHFRGABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTNR3C2PBP2XPTGS1PTGS2VKORC1blablaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAftsImrcAmrcBmrdApbp1apbp1bpbp2apbp2bpbp3polthyA

The experimentally established mechanism targets of Azoxystrobin. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.36
MAP4K4 O95819 1/20 0.35
SCN9A Q15858 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
MAPK14 Q16539 1/20 0.34
SYK P43405 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
IDO1 P14902 1/20 0.33
EGFR P00533 1/20 0.33
ERBB2 P04626 1/20 0.33
ERBB3 P21860 1/20 0.33
ERBB4 Q15303 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MAPK1 P28482 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33

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
Azoxystrobin SCHEMBL29362394 0.94 MAP4K4 (0.38) PIN1MAP4K4SCN9AALDH1A1HPGD
Azoxystrobin SCHEMBL4447188 0.94 MAP4K4 (0.38) PIN1MAP4K4SCN9AALDH1A1HPGD
Azoxystrobin SCHEMBL18823 0.94 MAP4K4 (0.38) PIN1MAP4K4SCN9AALDH1A1HPGD
Azoxystrobin SCHEMBL4113006 0.94 MAP4K4 (0.38) PIN1MAP4K4SCN9AALDH1A1HPGD
Azoxystrobin SCHEMBL55087 0.94 MAP4K4 (0.38) PIN1MAP4K4SCN9AALDH1A1HPGD
Azoxystrobin SCHEMBL17701154 0.93 MAP4K4 (0.38) PIN1MAP4K4SCN9AALDH1A1HPGD
Azoxystrobin SCHEMBL17701140 0.92 PIN1 (0.37) PIN1MAP4K4ALDH1A1HPGDTSHR
Azoxystrobin SCHEMBL5902501 0.88 PIN1 (0.37) PIN1MAP4K4SCN9AALDH1A1HPGD
Azoxystrobin SCHEMBL17701168 0.88 SYK (0.37) PIN1MAP4K4SCN9AALDH1A1HPGD
Azoxystrobin SCHEMBL19356835 0.86 PIN1 (0.36) PIN1MAP4K4SCN9AALDH1A1HPGD

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-1565057-A2 FUNGICIDAL COMPOSITIONS CONTAINING AT LEAST ONE SALT OF PHOSPHOROUS ACID AND AT LEAST A SECOND FUNGICIDAL COMPONENT ISAGRO S.p.A. (IT) 2005-08-24 EP disclosed
WO-2004047540-A2 FUNGICIDAL COMPOSITIONS CONTAINING AT LEAST ONE SALT OF PHOSPHOROUS ACID AND AT LEAST A SECOND FUNGICIDAL COMPONENT ISAGRO S.P.A. (IT) 2004-06-10 WO disclosed