SCHEMBL9448404

SCHEMBL9448404

NC(=O)c1cncc(OCCO)c1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 18/20 0.49
SIRT3 Q9NTG7 15/20 0.49
SIRT1 Q96EB6 15/20 0.49
MKNK1 Q9BUB5 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
CHEK2 O96017 1/20 0.44

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
SCHEMBL9448322 0.92 SIRT2 (0.48) SIRT2SIRT3SIRT1CHEK2
SCHEMBL9448533 0.85 SIRT2 (0.48) SIRT2SIRT3SIRT1MKNK2
SCHEMBL9448549 0.85 SIRT2 (0.48) SIRT2SIRT3SIRT1
SCHEMBL9448446 0.84 SIRT2 (0.47) SIRT2SIRT3SIRT1MKNK2
SCHEMBL9448400 0.81 SIRT2 (0.50) SIRT2SIRT3SIRT1
SCHEMBL9952887 0.81 SIRT2 (0.50) SIRT2SIRT3SIRT1
SCHEMBL9448534 0.81 PARP10 (0.56) SIRT2SIRT3SIRT1
SCHEMBL28940906 0.80 MEN1 (0.43) MKNK1MKNK2CHEK2
SCHEMBL24343796 0.80 ALDH1A1 (0.48) MKNK2
SCHEMBL9448330 0.79 SIRT2 (0.46) 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