SCHEMBL22017862

SCHEMBL22017862

CNC(=O)c1cc[n+](CCS(=O)(=O)OC)nc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 5/20 0.35
CA2 P00918 1/20 0.33
BAZ2B Q9UIF8 1/20 0.33
HPGD P15428 2/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HPGDS O60760 2/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA9 Q16790 1/20 0.32
MAPK14 Q16539 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
ALPL P05186 1/20 0.31
GRM5 P41594 1/20 0.30
MKNK1 Q9BUB5 1/20 0.30
MKNK2 Q9HBH9 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL28634617 0.84 CA2 (0.41) PLK1CA2BAZ2BHPGDTSHR
SCHEMBL22017875 0.82 NPC1 (0.39) HTTHDAC2HDAC8HDAC6
SCHEMBL22018297 0.77 BAZ2B (0.39) PLK1CA2BAZ2BHPGDTSHR
SCHEMBL24001136 0.76 MAPK1 (0.36) CA2HPGDCA12CA1CA9
SCHEMBL22018299 0.74 FDPS (0.36) HPGDTSHRHPGDSGRM5ALDH1A1
SCHEMBL20753258 0.73 CLK4 (0.33)
SCHEMBL22018300 0.72 LMNA (0.39) HPGDHTTHPGDSALDH1A1
SCHEMBL22018303 0.72 SLC7A5 (0.43) PLK1BAZ2BGRM5
SCHEMBL22018290 0.72 CA12 (0.41) CA2HPGDHPGDSCA12CA1
SCHEMBL24001058 0.72

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