SCHEMBL24841508

SCHEMBL24841508

O=C(NCCO)c1ncn(CCCCCO)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.36
HDAC4 P56524 3/20 0.36
HDAC1 Q13547 3/20 0.36
HDAC7 Q8WUI4 3/20 0.36
HDAC2 Q92769 3/20 0.36
HDAC10 Q969S8 3/20 0.36
HDAC11 Q96DB2 3/20 0.36
HDAC8 Q9BY41 3/20 0.36
HDAC6 Q9UBN7 3/20 0.36
HDAC9 Q9UKV0 3/20 0.36
HDAC5 Q9UQL6 3/20 0.36
SMPD1 P17405 1/20 0.36
NTRK2 Q16620 1/20 0.35
KLKB1 P03952 2/20 0.34
KLK1 P06870 1/20 0.34
SLC40A1 Q9NP59 3/20 0.34
MITF O75030 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
GLS O94925 1/20 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
SCHEMBL24841511 1.00 HDAC3 (0.36) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL30162978 0.88 MITF (0.34) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL24841260 0.84 SLC40A1 (0.42) KLKB1KLK1SLC40A1SYKNPSR1
SCHEMBL30162719 0.81 KLKB1 (0.35) SMPD1KLKB1KLK1SLC40A1SYK
SCHEMBL24842790 0.79 LMNA (0.39)
SCHEMBL30162886 0.79 LMNA (0.39)
SCHEMBL24841515 0.78 ADRB3 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL24841257 0.76 KLKB1 (0.34) SMPD1KLKB1KLK1SYKL3MBTL1
SCHEMBL24841261 0.72 SLC40A1 (0.38) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL24842793 0.72 CPB2 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2

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