SCHEMBL25779271

SCHEMBL25779271

CN(C)C(=O)c1nccnc1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.43
ALDH1A1 P00352 5/20 0.43
MAPT P10636 4/20 0.43
ALOX15 P16050 3/20 0.41
TSHR P16473 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
CYP3A4 P08684 1/20 0.41
BLM P54132 1/20 0.41
AGER Q15109 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KMT2A Q03164 4/20 0.40
ASPH Q12797 1/20 0.38
KDM8 Q8N371 1/20 0.38
MYC P01106 1/20 0.37
ATM Q13315 1/20 0.37
HSD17B10 Q99714 1/20 0.36
CYP1A2 P05177 1/20 0.36
NAPRT Q6XQN6 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
MEN1 O00255 2/20 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
SCHEMBL5032078 0.91 MAP4K1 (0.37) KDM4EALDH1A1MAPTALOX15TSHR
SCHEMBL69939 0.81 KDM4E (0.54) KDM4EALDH1A1MAPTALOX15TSHR
SCHEMBL6345905 0.78 KDM4E (0.52) KDM4EALDH1A1MAPTALOX15TSHR
SCHEMBL28058447 0.78 KDM4E (0.52) KDM4EALDH1A1MAPTALOX15TSHR
Hydrochloric Acid SCHEMBL9356773 0.78 KDM4E (0.52) KDM4EALDH1A1MAPTALOX15TSHR
Hydrochloric Acid SCHEMBL9356765 0.78 KDM4E (0.52) KDM4EALDH1A1MAPTALOX15TSHR
SCHEMBL29113117 0.78 KDM4E (0.52) KDM4EALDH1A1MAPTALOX15TSHR
Water SCHEMBL335807 0.78 KDM4E (0.52) KDM4EALDH1A1MAPTALOX15TSHR
SCHEMBL27875395 0.78 KDM4E (0.52) KDM4EALDH1A1MAPTALOX15TSHR
SCHEMBL3566913 0.77 PIK3C3 (0.35) ALDH1A1MAPTL3MBTL1KMT2ASMN1; SMN2

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-2023118434-A1 PESTICIDALLY ACTIVE AMIDE COMPOUNDS GLOBACHEM NV (BE) 2023-06-29 WO disclosed