SCHEMBL22020522

SCHEMBL22020522

CCNC(=O)c1c[n+](CCS(=O)(=O)OC)ns1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HSP90AB1 P08238 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
SCHEMBL22020526 0.82 HDAC4 (0.34) HDAC4HDAC1HDAC6HSP90AB1
SCHEMBL22021070 0.80 HDAC4 (0.36) HDAC4HDAC1HDAC6HSP90AB1
SCHEMBL22021114 0.80
SCHEMBL22021545 0.79 HDAC4 (0.38) HDAC4HDAC1HDAC6HSP90AB1
SCHEMBL22020736 0.79 HDAC6 (0.35) HDAC4HDAC1HDAC6HSP90AB1
SCHEMBL22014609 0.67
SCHEMBL22015895 0.63 LTA4H (0.31)
SCHEMBL22017862 0.61 PLK1 (0.35) HDAC6
SCHEMBL22020751 0.59 NPC1 (0.41)
SCHEMBL22020524 0.59 RPS6KA3 (0.47) HDAC4HDAC1HDAC6HSP90AB1

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-2020099406-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2020-05-22 WO disclosed