SCHEMBL22018099

SCHEMBL22018099

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.35
HPGDS O60760 1/20 0.34
MAPK14 Q16539 3/20 0.34
APOBEC3A P31941 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
GAA P10253 1/20 0.34
FOLH1 Q04609 2/20 0.34
BRD4 O60885 1/20 0.34
KDM4E B2RXH2 1/20 0.33
OPRD1 P41143 1/20 0.33
HDAC6 Q9UBN7 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
SCHEMBL22018680 0.92 MAPK1 (0.39) MAPK1HPGDSMAPK14CYP1A2CYP2C9
SCHEMBL22018315 0.86 MEN1 (0.34) MAPK1APOBEC3ACTDSP1APOBEC3GCYP1A2
SCHEMBL22018297 0.86 BAZ2B (0.39) HPGDBRD4KDM4EHDAC6
SCHEMBL22017877 0.85 CTSL (0.35) MAPK1APOBEC3ACTDSP1APOBEC3GCYP1A2
SCHEMBL22018667 0.85 CA1 (0.41) MAPK1APOBEC3ACTDSP1APOBEC3GCYP1A2
SCHEMBL22018316 0.85 MAPK1 (0.38) MAPK1CYP1A2CYP2C9CYP2C19MEN1
SCHEMBL22018327 0.84 ALDH1A1 (0.33) MAPK1APOBEC3ACTDSP1APOBEC3GCYP1A2
SCHEMBL22018322 0.84 ACR (0.38) MEN1HPGDKMT2AGAA
SCHEMBL24145392 0.84 CA1 (0.37) MAPK1CYP1A2CYP2C9CYP2C19HPGD
SCHEMBL22017886 0.82 TP53 (0.42) CYP2C9MEN1MAPTHPGDKMT2A

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