SCHEMBL22018315

SCHEMBL22018315

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPC1 O15118 1/20 0.34
KDM4E B2RXH2 4/20 0.34
MAPT P10636 1/20 0.34
HIF1A Q16665 1/20 0.34
SLC22A6 Q4U2R8 1/20 0.34
SLC22A8 Q8TCC7 1/20 0.34
MAPK1 P28482 1/20 0.33
SOST Q9BQB4 1/20 0.33
CYP1A2 P05177 2/20 0.33
APOBEC3A P31941 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
THRB P10828 1/20 0.33
HPGD P15428 2/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL22018316 0.88 MAPK1 (0.38) MEN1KMT2ANPC1KDM4EMAPK1
SCHEMBL22018099 0.86 MAPK1 (0.35) MEN1KMT2AKDM4EMAPTMAPK1
SCHEMBL22018297 0.83 BAZ2B (0.39) KDM4EHPGDPOLBCA2EGLN1
SCHEMBL22018667 0.83 CA1 (0.41) KDM4EMAPK1CYP1A2APOBEC3ACTDSP1
SCHEMBL22017877 0.83 CTSL (0.35) MAPK1CYP1A2APOBEC3ACTDSP1APOBEC3G
SCHEMBL22017886 0.83 TP53 (0.42) MEN1KMT2AKDM4EMAPTCYP2C9
SCHEMBL22018327 0.82 ALDH1A1 (0.33) NPC1KDM4EMAPTHIF1ASLC22A6
SCHEMBL22018322 0.82 ACR (0.38) MEN1KMT2ANPC1HPGD
SCHEMBL22018673 0.81 APOBEC3A (0.52) MAPK1APOBEC3ACTDSP1APOBEC3GHPGD
SCHEMBL24145392 0.79 CA1 (0.37) KMT2AKDM4EMAPK1CYP1A2CYP2C9

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