SCHEMBL24842010

SCHEMBL24842010

NC(=O)c1cn(CCCCCCO)cn1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ADA P00813 8/20 0.40
▸ CPB2 Q96IY4 6/20 0.40
▸ TK1 P04183 1/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ JAK3 P52333 1/20 0.33
▸ CPB1 P15086 3/20 0.33
▸ SMYD3 Q9H7B4 1/20 0.33
▸ GRM2 Q14416 1/20 0.32
▸ CNR1 P21554 1/20 0.32
▸ CNR2 P34972 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
SCHEMBL24842794 1.00 ADA (0.40) ADACPB2TK1JAK2JAK1
SCHEMBL5521044 0.87 CPB2 (0.42) ADACPB2CPB1SMYD3
SCHEMBL27781554 0.82 CPB2 (0.47) ADACPB2CPB1SMYD3
SCHEMBL24842800 0.80 MEN1 (0.40) CPB2CPB1SMYD3GRM2CNR1
SCHEMBL24842793 0.80 CPB2 (0.41) CPB2SMYD3
SCHEMBL24842023 0.80 MEN1 (0.40) CPB2CPB1SMYD3GRM2CNR1
SCHEMBL28309917 0.79 ADA (0.46) ADASMYD3GRM2
SCHEMBL24841213 0.78 ADA (0.39) ADACPB2JAK3CPB1SMYD3
SCHEMBL24841247 0.78 ADA (0.39) ADACPB2CPB1SMYD3GRM2
SCHEMBL6335386 0.78 KDM5A (0.46) ADACPB2CPB1SMYD3

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
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