SCHEMBL30163007

SCHEMBL30163007

O=C(NCCO)c1cnn(CCCCCCO)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK2 Q16620 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
HPGD P15428 2/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
FYN P06241 1/20 0.37
NAMPT P43490 1/20 0.37
HTT P42858 1/20 0.37
KLKB1 P03952 2/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
PDK2 Q15119 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36

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
SCHEMBL24842024 0.85 L3MBTL1 (0.43) L3MBTL1HPGDLMNANPSR1HDAC3
SCHEMBL24842015 0.79 L3MBTL1 (0.45) L3MBTL1NAMPTHDAC3HDAC1HDAC7
SCHEMBL24842016 0.78 L3MBTL1 (0.45) L3MBTL1HPGDPOLBHDAC3HDAC4
SCHEMBL24842797 0.76 HPGD (0.38) NTRK2L3MBTL1HPGDLMNAPOLB
SCHEMBL30162879 0.76 HPGD (0.38) NTRK2L3MBTL1HPGDLMNAPOLB
SCHEMBL30535495 0.73 L3MBTL1 (0.67) L3MBTL1POLBSMN1; SMN2PDK2
SCHEMBL7318801 0.72 L3MBTL1 (0.53) L3MBTL1HPGDLMNANPSR1KLKB1
SCHEMBL31679685 0.72 L3MBTL1 (0.47) L3MBTL1HPGDLMNANPSR1NAMPT
SCHEMBL24841508 0.71 HDAC3 (0.36) NTRK2L3MBTL1NPSR1KLKB1HDAC3
SCHEMBL24841511 0.71 HDAC3 (0.36) NTRK2L3MBTL1NPSR1KLKB1HDAC3

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 2 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