SCHEMBL30679043

SCHEMBL30679043

CCN1CCN(c2ccc([N+](=O)[O-])c(O)c2)CC1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 5/20 0.72
MAPT P10636 10/20 0.64
THRB P10828 1/20 0.64
PKM P14618 1/20 0.64
L3MBTL1 Q9Y468 2/20 0.51
MAPK1 P28482 1/20 0.51
LMNA P02545 2/20 0.51
OPRM1 P35372 1/20 0.51
OPRD1 P41143 1/20 0.51
HPGD P15428 1/20 0.49
ALDH1A1 P00352 4/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL13981656 0.89 SIRT6 (0.73) SIRT6MAPTTHRBPKML3MBTL1
SCHEMBL14852502 0.84 SIRT6 (1.00) SIRT6MAPTTHRBPKML3MBTL1
SCHEMBL4772717 0.83 MAPT (0.72) SIRT6MAPTL3MBTL1MAPK1LMNA
SCHEMBL22652221 0.83 L3MBTL1 (0.51) SIRT6MAPTL3MBTL1MAPK1LMNA
SCHEMBL4762192 0.83 MAPT (0.57) SIRT6MAPTL3MBTL1MAPK1LMNA
SCHEMBL4723486 0.83 L3MBTL1 (0.51) SIRT6MAPTL3MBTL1MAPK1LMNA
SCHEMBL26087649 0.83 SIRT6 (0.56) SIRT6MAPTL3MBTL1MAPK1LMNA
SCHEMBL31296613 0.83 SIRT6 (0.56) SIRT6MAPTL3MBTL1MAPK1LMNA
SCHEMBL14406631 0.82 SIRT6 (0.67) SIRT6MAPTTHRBPKML3MBTL1
SCHEMBL19899574 0.82 MAPT (0.75) SIRT6MAPTTHRBPKML3MBTL1

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
CN-116981664-A Thienyl and cycloalkyl aminopyrimidine compounds as inhibitors of NUAK kinase, compositions and uses thereof 安大略省癌症研究所(OICR) 2023-10-31 CN disclosed