SCHEMBL8224939

SCHEMBL8224939

BCCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 17/20 0.76
SIRT2 Q8IXJ6 15/20 0.76
SIRT3 Q9NTG7 1/20 0.76

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
SCHEMBL907810 0.89 SIRT1 (0.78) SIRT1SIRT2SIRT3
SCHEMBL907692 0.88 SIRT1 (0.78) SIRT1SIRT2SIRT3
SCHEMBL907340 0.88 SIRT1 (0.78) SIRT1SIRT2SIRT3
SCHEMBL907437 0.87 SIRT1 (0.76) SIRT1SIRT2SIRT3
SCHEMBL907478 0.86 SIRT1 (1.00) SIRT1SIRT2SIRT3
SCHEMBL907464 0.85 SIRT1 (1.00) SIRT1SIRT2SIRT3
Hydrochloric Acid SCHEMBL907346 0.85 SIRT1 (1.00) SIRT1SIRT2SIRT3
SCHEMBL907754 0.85 SIRT1 (1.00) SIRT1SIRT2SIRT3
SCHEMBL907349 0.85 SIRT1 (1.00) SIRT1SIRT2SIRT3
Hydrochloric Acid SCHEMBL907338 0.84 SIRT1 (0.71) SIRT1SIRT2SIRT3

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
EP-2099445-B1 P53 ACTIVATING BENZOYL UREA AND BENZOYL THIOUREA COMPOUNDS UNIV DUNDEE (GB) 2010-11-17 EP disclosed
WO-2008029096-A2 P53 ACTIVATING BENZOYL UREA AND BENZOYL THIOUREA COMPOUNDS UNIVERSITY COURT OF THE UNIVERSITY OF DUNDEE (GB) 2008-03-13 WO disclosed