SCHEMBL21609799

SCHEMBL21609799

COC(=O)c1cc(OC(C)(C)C#N)cc(C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.55
LMNA P02545 2/20 0.38
CFTR P13569 1/20 0.38
CES2 O00748 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
ADCY8 P40145 3/20 0.36
ADCY1 Q08828 3/20 0.36
CNR1 P21554 1/20 0.36
MAPT P10636 1/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
NFKB1 P19838 1/20 0.36
XDH P47989 1/20 0.36
GFER P55789 1/20 0.36

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
SCHEMBL21609800 0.86 MRGPRX4 (0.41) NOTUMCES2MRGPRX4
SCHEMBL21609824 0.81 NOTUM (0.55) NOTUMLMNACFTRCES2CA12
SCHEMBL1189091 0.81 NOTUM (0.66) NOTUMLMNACFTRCES2CA12
SCHEMBL25178168 0.80 NOTUM (0.50) NOTUMLMNACA12CA1CA2
SCHEMBL545041 0.80 NOTUM (0.60) NOTUMLMNACFTRCES2CA12
SCHEMBL31179766 0.79 NOTUM (0.64) NOTUMLMNACFTRCES2CA12
SCHEMBL475762 0.78 NOTUM (0.77) NOTUMLMNACFTRCES2CA12
SCHEMBL1999038 0.78 NOTUM (0.77) NOTUMLMNACFTRCES2CA12
SCHEMBL24017237 0.78 NOTUM (0.50) NOTUMLMNACA12CA1CA2
SCHEMBL24017367 0.77 NOTUM (0.49) NOTUMLMNACA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3814332-B1 PESTICIDALLY ACTIVE AZOLE-AMIDE COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2023-06-07 EP disclosed
EP-3814332-B1 PESTICIDALLY ACTIVE AZOLE-AMIDE COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2023-06-07 EP disclosed
EP-3814332-A1 PESTICIDALLY ACTIVE AZOLE-AMIDE COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2021-05-05 EP disclosed
CN-112351978-A Pesticidally active azole-amide compounds 先正达参股股份有限公司 2021-02-09 CN disclosed
WO-2020002563-A1 PESTICIDALLY ACTIVE AZOLE-AMIDE COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2020-01-02 WO disclosed
WO-2020002563-A1 PESTICIDALLY ACTIVE AZOLE-AMIDE COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2020-01-02 WO disclosed