SCHEMBL28624281

SCHEMBL28624281

NC(=O)Oc1ccc(/C=C/c2ncn(-c3ccc(OC(F)(F)F)cc3)n2)cn1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.34
GRIK1 P39086 1/20 0.33
GRIK2 Q13002 1/20 0.33
RXRA P19793 5/20 0.33
GRIN1 Q05586 5/20 0.33
GRIN2B Q13224 5/20 0.33
CCNA2 P20248 2/20 0.33
CDK2 P24941 2/20 0.33
CCNA1 P78396 2/20 0.33
SCN9A Q15858 1/20 0.33
SCN10A Q9Y5Y9 1/20 0.33
NAMPT P43490 1/20 0.33
CPB1 P15086 1/20 0.32
MAPK8 P45983 1/20 0.32
MAPK10 P53779 1/20 0.32
MCHR1 Q99705 1/20 0.32
ABL1 P00519 1/20 0.32
BCR P11274 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
SCHEMBL28624282 1.00 HDAC1 (0.34) HDAC1GRIK1GRIK2RXRAGRIN1
SCHEMBL28629677 0.89 CYP2D6 (0.36) HDAC1GRIK1GRIK2RXRAGRIN1
SCHEMBL28629671 0.89 LMNA (0.36) HDAC1GRIK1GRIK2SCN9ASCN10A
SCHEMBL28629669 0.89 LMNA (0.36) HDAC1GRIK1GRIK2SCN9ASCN10A
SCHEMBL28921758 0.86 CNR1 (0.35) HDAC1RXRAGRIN1GRIN2BMCHR1
SCHEMBL28615670 0.82 PPARD (0.36) RXRAGRIN1GRIN2BSCN9A
SCHEMBL28615666 0.82 PPARD (0.36) RXRAGRIN1GRIN2BSCN9A
SCHEMBL18579459 0.80 HDAC1 (0.41) HDAC1RXRAGRIN1GRIN2BSCN9A
SCHEMBL18579458 0.80 HDAC1 (0.41) HDAC1RXRAGRIN1GRIN2BSCN9A
SCHEMBL18579738 0.79 KDM4E (0.36) HDAC1GRIK1GRIK2RXRAGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108025189-B Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 美国陶氏益农公司 2021-07-02 CN disclosed