SCHEMBL22018040

SCHEMBL22018040

CCCNC(=O)c1cc[n+](CCS(=O)(=O)[O-])nc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.48
KMT2A Q03164 3/20 0.48
CA2 P00918 1/20 0.39
ALDH1A1 P00352 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
POLB P06746 2/20 0.37
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
CA12 O43570 2/20 0.36
CA9 Q16790 2/20 0.36
CHRNA10 Q9GZZ6 1/20 0.36
CHRNA9 Q9UGM1 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
MEN1 O00255 1/20 0.36
NAMPT P43490 2/20 0.36
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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 0.90 CA12 (0.41) KDM4EKMT2ACA2ALDH1A1CA12
SCHEMBL28634617 0.85 CA2 (0.41) CA2CA12CA9HPGDSMN1; SMN2
SCHEMBL22018656 0.84 KMT2A (0.42) KDM4EKMT2ACA2ALDH1A1L3MBTL1
SCHEMBL22018666 0.84 CA2 (0.50) KDM4EKMT2ACA2CA12CA9
SCHEMBL22018679 0.83 CA12 (0.37) KDM4EKMT2ACA2ALDH1A1CA12
SCHEMBL22018670 0.82 SMN1; SMN2 (0.44) KDM4EKMT2AALDH1A1L3MBTL1GAA
SCHEMBL22018041 0.81 CA2 (0.44) CA2POLBNAMPT
SCHEMBL22018668 0.81 CA2 (0.50) KDM4ECA2ALDH1A1L3MBTL1POLB
SCHEMBL22018046 0.81 LMNA (0.41) KMT2AALDH1A1L3MBTL1CA12CA9
SCHEMBL22018043 0.79 L3MBTL1 (0.47) KMT2ACA2ALDH1A1L3MBTL1HPGD

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