SCHEMBL22018296

SCHEMBL22018296

CN(C)C(=O)c1cc[n+](CCCS(=O)(=O)O)nc1

nearest known ligand 0.30

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
KMT2A Q03164 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
SCHEMBL22018048 0.81 GABRA5 (0.32)
SCHEMBL22018305 0.79 HPGD (0.34) ALDH1A1HPGD
SCHEMBL22018051 0.78 KMT2A (0.44) HPGDKMT2A
SCHEMBL25893598 0.72 CYP2A6 (0.33)
SCHEMBL22018300 0.70 LMNA (0.39) ALDH1A1HPGD
SCHEMBL22018299 0.70 FDPS (0.36) ALDH1A1HPGD
SCHEMBL24145400 0.69 SCN9A (0.32)
SCHEMBL22018658 0.68 GABRA5 (0.35)
SCHEMBL22336301 0.67 HCAR3 (0.43) ALDH1A1SMN1; SMN2KMT2A
SCHEMBL22018047 0.67 HPGD (0.35) ALDH1A1HPGD

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