SCHEMBL30162836

SCHEMBL30162836

O=C(NCCO)c1cn(CC=CCO)cn1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.38
USP30 Q70CQ3 2/20 0.35
CNR1 P21554 1/20 0.34
KLKB1 P03952 4/20 0.33
MALT1 Q9UDY8 1/20 0.32
BRD4 O60885 1/20 0.32
POLB P06746 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
LMNA P02545 1/20 0.31
AHCY P23526 1/20 0.31

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
SCHEMBL24842799 1.00 SMYD3 (0.38) SMYD3USP30CNR1KLKB1MALT1
SCHEMBL24841532 0.85 SMYD3 (0.36) SMYD3USP30KLKB1AHCY
SCHEMBL30162870 0.79 SMYD3 (0.57) SMYD3USP30CNR1KLKB1MALT1
SCHEMBL24841509 0.79 ADA (0.40) SMYD3AHCY
SCHEMBL24841531 0.78 GRM2 (0.41) SMYD3AHCY
SCHEMBL24842793 0.75 CPB2 (0.41) SMYD3USP30
SCHEMBL24841257 0.73 KLKB1 (0.34) CNR1KLKB1MALT1BRD4POLB
SCHEMBL24842792 0.73 SMYD3 (0.37) SMYD3USP30CNR1KLKB1LMNA
SCHEMBL24842038 0.71 HDAC1 (0.44) CNR1MALT1BRD4POLBHPGD
SCHEMBL30163098 0.71 HDAC1 (0.44) CNR1MALT1BRD4POLBHPGD

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