SCHEMBL22018048

SCHEMBL22018048

CC(C)N(C)C(=O)c1cc[n+](CCS(=O)(=O)O)nc1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 1/20 0.32
HDAC4 P56524 1/20 0.32
GRM1 Q13255 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
SCHEMBL22018305 0.88 HPGD (0.34)
SCHEMBL22018658 0.83 GABRA5 (0.35) GABRA5HDAC4GRM1
SCHEMBL22018051 0.81 KMT2A (0.44)
SCHEMBL22018296 0.81 ALDH1A1 (0.30)
SCHEMBL22018299 0.80 FDPS (0.36) GABRA5
SCHEMBL22018300 0.74 LMNA (0.39) GABRA5
SCHEMBL22018047 0.71 HPGD (0.35)
SCHEMBL24145400 0.68 SCN9A (0.32)
SCHEMBL20753315 0.66 PABPC1 (0.35)
SCHEMBL22017871 0.66 MEN1 (0.48)

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