SCHEMBL30162815

SCHEMBL30162815

COC(=O)c1cnn(C/C=C\CO)c1.Cc1nn(C/C=C\CO)cc1C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ KDM4E B2RXH2 3/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ GRM2 Q14416 1/20 0.33
▸ ALKBH1 Q13686 1/20 0.32
▸ MAPK1 P28482 1/20 0.30
▸ NAMPT P43490 1/20 0.30

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
SCHEMBL24842778 0.86 ALDH1A1 (0.39) L3MBTL1KDM4EALDH1A1HPGDGRM2
SCHEMBL30163168 0.77 L3MBTL1 (0.40) L3MBTL1KDM4EALDH1A1HPGDGRM2
SCHEMBL30163113 0.77 L3MBTL1 (0.40) L3MBTL1KDM4EALDH1A1HPGDGRM2
SCHEMBL10667956 0.73 ALKBH1 (0.38) L3MBTL1KDM4EALDH1A1HPGDALKBH1
SCHEMBL30163004 0.71 L3MBTL1 (0.34) L3MBTL1
SCHEMBL2187671 0.70 L3MBTL1 (0.45) L3MBTL1KDM4EALDH1A1HPGDGRM2
SCHEMBL24842796 0.69 LMNA (0.36) L3MBTL1KDM4EALDH1A1HPGD
SCHEMBL24842773 0.69 L3MBTL1 (0.38) L3MBTL1KDM4EALDH1A1
SCHEMBL24841394 0.68 HPGD (0.34) L3MBTL1KDM4EALDH1A1HPGDGRM2
SCHEMBL12492471 0.67 L3MBTL1 (0.46) L3MBTL1KDM4EALDH1A1HPGDGRM2

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
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