SCHEMBL22017876

SCHEMBL22017876

CCNC(=O)c1cc[n+](CC(=O)OC)nc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.40
MAPK14 Q16539 4/20 0.36
LCK P06239 1/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
KDM4E B2RXH2 4/20 0.34
LMNA P02545 2/20 0.34
GAA P10253 2/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
APOBEC3A P31941 1/20 0.34
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ALPL P05186 1/20 0.33

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
SCHEMBL22018682 0.84 HPGDS (0.37) HPGDSMAPK14MEN1KMT2AKDM4E
SCHEMBL22018099 0.78 MAPK1 (0.35) HPGDSMAPK14MEN1KMT2AKDM4E
SCHEMBL22018291 0.76 HPGDS (0.35) HPGDSMAPK14MEN1KMT2ALMNA
SCHEMBL22018105 0.76 HPGDS (0.35) HPGDSMAPK14MEN1KMT2ALMNA
SCHEMBL22018680 0.76 MAPK1 (0.39) HPGDSMAPK14KDM4ELMNAALDH1A1
SCHEMBL22017878 0.76 HPGDS (0.34) HPGDSMAPK14LCKMEN1KMT2A
SCHEMBL22018290 0.75 CA12 (0.41) HPGDSMAPK14LCKMEN1KMT2A
SCHEMBL22018103 0.75 CA12 (0.36) HPGDSMAPK14LCKMEN1KMT2A
SCHEMBL20753267 0.72 ALDH1A1 (0.40) MEN1KMT2AKDM4ELMNAUSP2
SCHEMBL22336173 0.71 KDM4E (0.48) MEN1KMT2AKDM4ELMNAGAA

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