SCHEMBL22017878

SCHEMBL22017878

CCNC(=O)c1cc[n+](CCP(=O)(OCC)OCC)nc1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.34
PPARD Q03181 1/20 0.33
MAPK14 Q16539 3/20 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
KMT2A Q03164 1/20 0.31
GAA P10253 1/20 0.31
LCK P06239 1/20 0.31
GABRA5 P31644 2/20 0.31
FPR2 P25090 1/20 0.30
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL22018099 0.78 MAPK1 (0.35) HPGDSMAPK14MEN1LMNAMAPT
SCHEMBL22018682 0.77 HPGDS (0.37) HPGDSMAPK14MEN1LMNAMAPT
SCHEMBL22018680 0.76 MAPK1 (0.39) HPGDSMAPK14LMNAHPGDKDM4E
SCHEMBL22017876 0.76 HPGDS (0.40) HPGDSMAPK14MEN1LMNAMAPT
SCHEMBL22018290 0.75 CA12 (0.41) HPGDSMAPK14MEN1LMNAMAPT
SCHEMBL22018103 0.75 CA12 (0.36) HPGDSMAPK14MEN1LMNAMAPT
SCHEMBL20743956 0.74 PPARD (0.31) PPARD
SCHEMBL22018105 0.74 HPGDS (0.35) HPGDSMAPK14MEN1LMNAMAPT
SCHEMBL22018101 0.73 CA12 (0.37) HPGDSMAPK14MEN1LMNAMAPT
SCHEMBL22018097 0.73 CASR (0.34) HPGDSMAPK14OPRD1

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