SCHEMBL22018101

SCHEMBL22018101

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

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
KDM4E B2RXH2 2/20 0.34
KMT2A Q03164 2/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MAPK14 Q16539 3/20 0.33
NAMPT P43490 2/20 0.33
LCK P06239 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
GAA P10253 2/20 0.32
HPGDS O60760 1/20 0.32
CA2 P00918 1/20 0.32
LOXL2 Q9Y4K0 2/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 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
SCHEMBL24145388 0.87 LOXL2 (0.34) KDM4EKMT2ALOXL2
SCHEMBL22018318 0.87 HPGD (0.40) KMT2ANPC1RAB9ANAMPTALDH1A1
SCHEMBL22017892 0.87 CA2 (0.45) CA12CA9KDM4EKMT2ANAMPT
SCHEMBL22018290 0.85 CA12 (0.41) CA12CA9KDM4EKMT2ANPC1
SCHEMBL22017895 0.85 SMN1; SMN2 (0.42) KDM4EKMT2ARAB9AALDH1A1SMN1; SMN2
SCHEMBL22018681 0.85 HDAC4 (0.34) CA12CA9KDM4EMAPK14LCK
SCHEMBL22018651 0.84 RORC (0.34)
SCHEMBL22018679 0.83 CA12 (0.37) CA12CA9KDM4EKMT2ANPC1
SCHEMBL22018103 0.82 CA12 (0.36) CA12CA9KDM4EKMT2ANPC1
SCHEMBL22018321 0.80 CA12 (0.35) CA12CA9KDM4ENPC1RAB9A

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