SCHEMBL22018291

SCHEMBL22018291

CCNC(=O)c1cc[n+](CCC(N)C(=O)OC)nc1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.35
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
MAPK14 Q16539 2/20 0.32
LMNA P02545 2/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
MARS1 P56192 2/20 0.32
ALPL P05186 1/20 0.31
LTA4H P09960 2/20 0.31
IARS1 P41252 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GABRA5 P31644 1/20 0.31
DGAT2 Q96PD7 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 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
SCHEMBL22018105 1.00 HPGDS (0.35) HPGDSMEN1KMT2AMAPK14LMNA
SCHEMBL22018097 0.88 CASR (0.34) HPGDSMAPK14
SCHEMBL28636921 0.86 GABRA5 (0.32) GABRA5
Trifluoroacetic Acid SCHEMBL28636930 0.82 GABRA5 (0.33) MAPK14GABRA5
Trifluoroacetic Acid SCHEMBL28636927 0.81 GABRA5 (0.33) MAPK14GABRA5
SCHEMBL22018682 0.77 HPGDS (0.37) HPGDSMEN1KMT2AMAPK14LMNA
SCHEMBL24418527 0.77 LTA4H (0.34) MEN1KMT2AMAPTLTA4H
SCHEMBL22018099 0.76 MAPK1 (0.35) HPGDSMEN1KMT2AMAPK14LMNA
SCHEMBL22017876 0.76 HPGDS (0.40) HPGDSMEN1KMT2AMAPK14LMNA
Bromide SCHEMBL20743441 0.76 LTA4H (0.34) MEN1KMT2AMAPTLTA4H

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