SCHEMBL22018327

SCHEMBL22018327

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

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CYP1A2 P05177 2/20 0.32
CYP2C9 P11712 2/20 0.32
SOST Q9BQB4 1/20 0.32
MAPK1 P28482 1/20 0.32
APOBEC3A P31941 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
CYP2C19 P33261 1/20 0.32
KDM4E B2RXH2 4/20 0.31
HPGD P15428 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
HIF1A Q16665 1/20 0.30
SLC22A6 Q4U2R8 1/20 0.30
SLC22A8 Q8TCC7 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 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
SCHEMBL22018667 0.86 CA1 (0.41) CYP1A2CYP2C9MAPK1APOBEC3ACTDSP1
SCHEMBL22017877 0.86 CTSL (0.35) CYP1A2CYP2C9MAPK1APOBEC3ACTDSP1
SCHEMBL22018099 0.84 MAPK1 (0.35) CYP1A2CYP2C9MAPK1APOBEC3ACTDSP1
SCHEMBL22018315 0.82 MEN1 (0.34) ALDH1A1CYP1A2CYP2C9SOSTMAPK1
SCHEMBL22018297 0.81 BAZ2B (0.39) SMN1; SMN2KDM4EHPGDPOLB
SCHEMBL22018316 0.81 MAPK1 (0.38) ALDH1A1SMN1; SMN2CYP1A2CYP2C9MAPK1
SCHEMBL22018322 0.80 ACR (0.38) SMN1; SMN2HPGDNPC1RAB9A
SCHEMBL22018688 0.79 MAPK1 (0.37) ALDH1A1SMN1; SMN2CYP1A2CYP2C9MAPK1
SCHEMBL22018692 0.79 MAPK1 (0.37) ALDH1A1SMN1; SMN2CYP1A2CYP2C9MAPK1
SCHEMBL24145392 0.77 CA1 (0.37) ALDH1A1CYP1A2CYP2C9MAPK1CYP2C19

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