SCHEMBL30162824

SCHEMBL30162824

COC(=O)c1cn(CCOCCO)cn1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ KDM2B Q8NHM5 1/20 0.38
▸ GRM2 Q14416 1/20 0.38
▸ ADAMTS5 Q9UNA0 2/20 0.37
▸ KCNH2 Q12809 1/20 0.34
▸ CPB2 Q96IY4 2/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ SYK P43405 1/20 0.33
▸ SMYD3 Q9H7B4 1/20 0.33
▸ JAK3 P52333 1/20 0.32
▸ HTR1A P08908 1/20 0.32
▸ CPB1 P15086 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
SCHEMBL24841213 0.82 ADA (0.39) MEN1KMT2AKDM2BGRM2CPB2
SCHEMBL24842792 0.82 SMYD3 (0.37) KDM2BCPB2SYKSMYD3
SCHEMBL24842023 0.81 MEN1 (0.40) MEN1KMT2AGRM2ADAMTS5KCNH2
SCHEMBL24842800 0.81 MEN1 (0.40) MEN1KMT2AGRM2ADAMTS5KCNH2
SCHEMBL2282033 0.80 CPB2 (0.45) MEN1KMT2AGRM2ADAMTS5KCNH2
SCHEMBL15775548 0.79 MEN1 (0.43) MEN1KMT2AGRM2ADAMTS5KCNH2
SCHEMBL21361934 0.79 MEN1 (0.43) MEN1KMT2AGRM2ADAMTS5KCNH2
SCHEMBL20139133 0.78 MEN1 (0.42) MEN1KMT2AGRM2ADAMTS5KCNH2
SCHEMBL24596295 0.77 MEN1 (0.37) MEN1KMT2AKDM2BGRM2ADAMTS5
SCHEMBL7425205 0.77 SMYD3 (0.50) MEN1KMT2AGRM2ADAMTS5CPB2

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-2023277517-A1 ACYCLIC NUCLEIC ACID MIMIC COMPRISING PENTACYCLIC BASE 동아대학교 산학협력단 2023-01-05 — — WO disclosed
Send feedback