SCHEMBL22018679

SCHEMBL22018679

CCNC(=O)c1cc[n+](CCCS(=O)(=O)[O-])nc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
KDM4E B2RXH2 6/20 0.33
ALDH1A1 P00352 3/20 0.33
HPGD P15428 2/20 0.33
KMT2A Q03164 2/20 0.33
PABPC1 P11940 1/20 0.33
EIF4H Q15056 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
NAMPT P43490 2/20 0.33
HPGDS O60760 1/20 0.32
GAA P10253 2/20 0.32
CA2 P00918 1/20 0.32
LOXL2 Q9Y4K0 2/20 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
SCHEMBL22018290 0.93 CA12 (0.41) CA12CA9KDM4EALDH1A1HPGD
SCHEMBL22018321 0.85 CA12 (0.35) CA12CA9KDM4EALDH1A1HPGD
SCHEMBL22018040 0.83 KDM4E (0.48) CA12CA9KDM4EALDH1A1HPGD
SCHEMBL22018101 0.83 CA12 (0.37) CA12CA9KDM4EALDH1A1HPGD
SCHEMBL22018103 0.82 CA12 (0.36) CA12CA9KDM4EALDH1A1HPGD
SCHEMBL22018680 0.81 MAPK1 (0.39) KDM4EALDH1A1HPGDLMNAHPGDS
SCHEMBL28634617 0.80 CA2 (0.41) CA12CA9HPGDCA2MAPK14
SCHEMBL22018666 0.80 CA2 (0.50) CA12CA9KDM4EKMT2ANAMPT
SCHEMBL22018656 0.80 KMT2A (0.42) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL22018682 0.79 HPGDS (0.37) KDM4EALDH1A1HPGDKMT2AMEN1

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