SCHEMBL9448533

SCHEMBL9448533

NCCCOc1cncc(C(N)=O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 17/20 0.48
SIRT3 Q9NTG7 15/20 0.48
SIRT1 Q96EB6 14/20 0.48
AKT1 P31749 1/20 0.48
DYRK3 O43781 1/20 0.48
ROCK2 O75116 1/20 0.48
PRKD3 O94806 1/20 0.48
MAP4K4 O95819 1/20 0.48
PIM1 P11309 1/20 0.48
PRKACA P17612 1/20 0.48
RPS6KB1 P23443 1/20 0.48
CLK2 P49760 1/20 0.48
PRKX P51817 1/20 0.48
ROCK1 Q13464 1/20 0.48
DYRK1A Q13627 1/20 0.48
PRKG1 Q13976 1/20 0.48
PKN2 Q16513 1/20 0.48
CLK4 Q9HAZ1 1/20 0.48
MKNK2 Q9HBH9 1/20 0.48
STK17A Q9UEE5 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
SCHEMBL9448446 0.95 SIRT2 (0.47) SIRT2SIRT3SIRT1AKT1DYRK3
SCHEMBL9448322 0.87 SIRT2 (0.48) SIRT2SIRT3SIRT1
SCHEMBL9448549 0.87 SIRT2 (0.48) SIRT2SIRT3SIRT1
SCHEMBL9448404 0.85 SIRT2 (0.49) SIRT2SIRT3SIRT1MKNK2
SCHEMBL8262940 0.82 SIRT2 (0.47) SIRT2SIRT3SIRT1AKT1DYRK3
SCHEMBL5036891 0.81 PLA2G2A (0.46)
SCHEMBL9448330 0.81 SIRT2 (0.46) SIRT2SIRT3SIRT1
SCHEMBL9448400 0.80 SIRT2 (0.50) SIRT2SIRT3SIRT1
SCHEMBL9448534 0.80 PARP10 (0.56) SIRT2SIRT3SIRT1
SCHEMBL9952887 0.80 SIRT2 (0.50) SIRT2SIRT3SIRT1

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
US-5215738-A Used for destroying hypoxic tumor cells SRI INTERNATIONAL (US) 1993-06-01 US disclosed
WO-1986006628-A1 BENZAMIDE AND NICOTINAMIDE RADIOSENSITIZERS SRI INTERNATIONAL (US) 1986-11-20 WO disclosed