SCHEMBL21384537

SCHEMBL21384537

COC(=O)C(=CN(C)C)c1ccccc1Oc1cc(Oc2ccccc2C#N)ncn1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
MAP4K4 O95819 1/20 0.37
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
MAPK14 Q16539 3/20 0.36
SYK P43405 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
PIN1 Q13526 1/20 0.36
POLB P06746 2/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
GAA P10253 1/20 0.35
IDO1 P14902 1/20 0.35
MAPK1 P28482 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SCN9A Q15858 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL21384536 1.00 ALDH1A1 (0.38) ALDH1A1MAP4K4HPGDTSHRMAPK14
SCHEMBL55086 0.90 MAP4K4 (0.39) ALDH1A1MAP4K4HPGDTSHRMAPK14
SCHEMBL9065463 0.90 MAP4K4 (0.39) ALDH1A1MAP4K4HPGDTSHRMAPK14
SCHEMBL21389595 0.89 MAP4K4 (0.39) ALDH1A1MAP4K4HPGDTSHRMAPK14
SCHEMBL10045475 0.89 MAP4K4 (0.39) ALDH1A1MAP4K4HPGDTSHRMAPK14
Azoxystrobin SCHEMBL18823 0.88 MAP4K4 (0.38) ALDH1A1MAP4K4HPGDTSHRMAPK14
Azoxystrobin SCHEMBL29362394 0.88 MAP4K4 (0.38) ALDH1A1MAP4K4HPGDTSHRMAPK14
Azoxystrobin SCHEMBL55087 0.88 MAP4K4 (0.38) ALDH1A1MAP4K4HPGDTSHRMAPK14
Azoxystrobin SCHEMBL4447188 0.88 MAP4K4 (0.38) ALDH1A1MAP4K4HPGDTSHRMAPK14
Azoxystrobin SCHEMBL4113006 0.88 MAP4K4 (0.38) ALDH1A1MAP4K4HPGDTSHRMAPK14

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
CN-110294716-B Preparation method of azoxystrobin and intermediate thereof 帕潘纳(北京)科技有限公司 2021-05-07 CN disclosed
WO-2019178947-A1 PREPARATION METHOD FOR AZOXYSTROBIN AND INTERMEDIATE THEREOF 帕潘纳(北京)科技有限公司 2019-09-26 WO disclosed