SCHEMBL27979372

SCHEMBL27979372

CO/C=C(/Oc1cc(Oc2ccccc2C#N)ncn1)C(=O)Oc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
MAP4K4 O95819 1/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
PIN1 Q13526 1/20 0.36
DHODH Q02127 1/20 0.35
ALDH1A1 P00352 3/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
MAPK14 Q16539 2/20 0.34
SYK P43405 1/20 0.34
DCK P27707 1/20 0.33
LPAR1 Q92633 1/20 0.33
LPAR5 Q9H1C0 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
FABP7 O15540 1/20 0.32
FABP3 P05413 1/20 0.32

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
SCHEMBL2108060 0.91 POLB (0.40) POLBGAAMAP4K4NPC1RAB9A
SCHEMBL30819212 0.78 PIN1 (0.39) POLBGAAMAP4K4NPC1RAB9A
SCHEMBL435486 0.78 PIN1 (0.39) POLBGAAMAP4K4NPC1RAB9A
SCHEMBL435488 0.78 PIN1 (0.39) POLBGAAMAP4K4NPC1RAB9A
SCHEMBL29518059 0.78 PIN1 (0.39) POLBGAAMAP4K4NPC1RAB9A
SCHEMBL3958490 0.78 PIN1 (0.39) POLBGAAMAP4K4NPC1RAB9A
Azoxystrobin SCHEMBL4113006 0.78 MAP4K4 (0.38) POLBGAAMAP4K4NPC1RAB9A
Azoxystrobin SCHEMBL18823 0.78 MAP4K4 (0.38) POLBGAAMAP4K4NPC1RAB9A
Azoxystrobin SCHEMBL55087 0.78 MAP4K4 (0.38) POLBGAAMAP4K4NPC1RAB9A
Azoxystrobin SCHEMBL29362394 0.78 MAP4K4 (0.38) POLBGAAMAP4K4NPC1RAB9A

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
CN-109997858-A A kind of Synergistic bactericidal composition and application containing Fluoxastrobin 西华大学 2019-07-12 CN disclosed
CN-103947676-B A kind of composition pesticide and uses thereof BEIJING MINDLEADER AGROSCIENCE CO., LTD. (CN) 2016-04-13 CN disclosed
CN-103947676-A Pesticide composition and application thereof BEIJING MINDLEADER AGROSCIENCE CO LTD 2014-07-30 CN disclosed