SCHEMBL9448367

SCHEMBL9448367

CC(=O)NCCCOc1cncc(C(N)=O)c1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 13/20 0.53
SIRT3 Q9NTG7 13/20 0.53
L3MBTL1 Q9Y468 1/20 0.51
SIRT1 Q96EB6 12/20 0.47
USP2 O75604 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MTNR1A P48039 3/20 0.46
MTNR1B P49286 3/20 0.46

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
SCHEMBL9448346 0.96 SIRT2 (0.52) SIRT2SIRT3L3MBTL1SIRT1USP2
SCHEMBL9448391 0.85 SIRT2 (0.44) SIRT2SIRT3SIRT1
SCHEMBL9448549 0.80 SIRT2 (0.48) SIRT2SIRT3SIRT1
SCHEMBL9448322 0.80 SIRT2 (0.48) SIRT2SIRT3SIRT1
SCHEMBL9448533 0.80 SIRT2 (0.48) SIRT2SIRT3SIRT1
SCHEMBL9448400 0.79 SIRT2 (0.50) SIRT2SIRT3SIRT1
SCHEMBL9448446 0.79 SIRT2 (0.47) SIRT2SIRT3SIRT1
SCHEMBL9448404 0.78 SIRT2 (0.49) SIRT2SIRT3SIRT1
SCHEMBL9448330 0.77 SIRT2 (0.46) SIRT2SIRT3SIRT1
SCHEMBL9448534 0.76 PARP10 (0.56) SIRT2SIRT3SIRT1TSHR

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