SCHEMBL24842793

SCHEMBL24842793

O=C(NCCO)c1cn(CCCCCCO)cn1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CPB2 Q96IY4 1/20 0.41
▸ SMYD3 Q9H7B4 1/20 0.39
▸ HDAC3 O15379 1/20 0.37
▸ HDAC4 P56524 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC7 Q8WUI4 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ HDAC10 Q969S8 1/20 0.37
▸ HDAC11 Q96DB2 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ HDAC9 Q9UKV0 1/20 0.37
▸ HDAC5 Q9UQL6 1/20 0.37
▸ USP30 Q70CQ3 1/20 0.36
▸ NTRK2 Q16620 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL30162870 0.80 SMYD3 (0.57) CPB2SMYD3USP30
SCHEMBL24842794 0.80 ADA (0.40) CPB2SMYD3
SCHEMBL24842010 0.80 ADA (0.40) CPB2SMYD3
SCHEMBL24842792 0.80 SMYD3 (0.37) CPB2SMYD3USP30
SCHEMBL24842800 0.79 MEN1 (0.40) CPB2SMYD3
SCHEMBL24842023 0.79 MEN1 (0.40) CPB2SMYD3
SCHEMBL24842799 0.75 SMYD3 (0.38) SMYD3USP30
SCHEMBL30162836 0.75 SMYD3 (0.38) SMYD3USP30
SCHEMBL24841249 0.73 SMYD3 (0.39) CPB2SMYD3USP30SMN1; SMN2
SCHEMBL26813648 0.73 CPB2 (0.42) CPB2SMYD3

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 3 patents. 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 claimed
WO-2023277517-A1 ACYCLIC NUCLEIC ACID MIMIC COMPRISING PENTACYCLIC BASE 동아대학교 산학협력단 2023-01-05 — — WO disclosed
WO-2023277517-A1 ACYCLIC NUCLEIC ACID MIMIC COMPRISING PENTACYCLIC BASE 동아대학교 산학협력단 2023-01-05 — — WO disclosed
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