SCHEMBL28264256

SCHEMBL28264256

COC(=O)c1cnc(OCC2CC2)c(Br)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 1/20 0.47
CNR1 P21554 11/20 0.42
CNR2 P34972 5/20 0.42
MAPK1 P28482 2/20 0.41
CCNB2 O95067 1/20 0.41
CDK1 P06493 1/20 0.41
CCNB1 P14635 1/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
CCNA1 P78396 1/20 0.41
CCNB3 Q8WWL7 1/20 0.41
KDM4E B2RXH2 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL1505606 0.91 GABRA5 (0.46) GABRA5CNR1CNR2
SCHEMBL28853251 0.86 CNR1 (0.40) CNR1CNR2
SCHEMBL440247 0.85 XDH (0.41) CNR1CNR2CCNA2CDK2CCNA1
SCHEMBL15969593 0.84 CNR1 (0.45) CNR1CNR2
SCHEMBL15968271 0.84 CNR1 (0.43) CNR1CNR2CCNB2CDK1CCNB1
SCHEMBL20465157 0.80 MAPK1 (0.42) GABRA5CNR2MAPK1KDM4EL3MBTL1
SCHEMBL1505698 0.79 MAPK1 (0.50) GABRA5MAPK1KDM4EL3MBTL1
SCHEMBL2703073 0.79 GABRA5 (0.50) GABRA5CNR1MAPK1KDM4EL3MBTL1
SCHEMBL924247 0.78 KMT2A (0.47) GABRA5CNR1MAPK1KDM4EL3MBTL1
SCHEMBL440238 0.77 NOTUM (0.50) GABRA5CNR1CNR2MAPK1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109111432-B Compound, preparation method thereof and crop weeding effect thereof 潍坊科技学院 2020-10-30 CN claimed
CN-109232566-B Amide compound, preparation method thereof and application thereof in herbicide 中新科农(山东)生态农业有限公司 2021-03-12 CN disclosed
CN-109111432-B Compound, preparation method thereof and crop weeding effect thereof 潍坊科技学院 2020-10-30 CN disclosed
CN-109232566-A Amides compound and preparation method thereof and the application in herbicide 范世杰 2019-01-18 CN disclosed
CN-109111432-A A kind of compound and preparation method thereof and its crop herbicide effect 范世杰 2019-01-01 CN disclosed