SCHEMBL22018681

SCHEMBL22018681

CCNC(=O)c1cc[n+](CCNS(=O)(=O)C(F)(F)F)nc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
HDAC1 Q13547 1/20 0.34
EPHX1 P07099 1/20 0.33
GABRA5 P31644 2/20 0.33
MLYCD O95822 2/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
HPGDS O60760 1/20 0.32
PDK2 Q15119 2/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
LCK P06239 1/20 0.31
MAPK14 Q16539 1/20 0.31
PPARA Q07869 2/20 0.31
KDM4E B2RXH2 1/20 0.31
IDO1 P14902 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL22018101 0.85 CA12 (0.37) CA12CA9HPGDSCA2LCK
SCHEMBL22018290 0.77 CA12 (0.41) HDAC4HDAC6CA12CA9HPGDS
SCHEMBL22018099 0.75 MAPK1 (0.35) HDAC6HPGDSMAPK14KDM4ECYP1A2
SCHEMBL22018679 0.75 CA12 (0.37) CA12CA9HPGDSCA2MAPK14
SCHEMBL22018103 0.74 CA12 (0.36) GABRA5CA12CA9HPGDSLCK
SCHEMBL24145389 0.74 LOXL2 (0.35) KDM4E
SCHEMBL22018680 0.73 MAPK1 (0.39) HDAC6HPGDSCA1CA2MAPK14
SCHEMBL22018321 0.73 CA12 (0.35) GABRA5CA12CA9HPGDSCA2
SCHEMBL24145388 0.73 LOXL2 (0.34) KDM4E
SCHEMBL22018318 0.73 HPGD (0.40) CYP1A2CYP2C19

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
WO-2020099367-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2020-05-22 WO disclosed