SCHEMBL23260612

SCHEMBL23260612

CCNC(=O)c1cc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)ccc1S(=O)(=O)Nc1cc(Br)c(F)cc1C

nearest known ligand 0.80

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SIRT6 Q8N6T7 3/20 0.80
▸ PPARG P37231 9/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ GPR27 Q9NS67 3/20 0.42
▸ ACLY P53396 3/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ IDH1 O75874 1/20 0.37

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
SCHEMBL23260613 0.94 SIRT6 (0.76) SIRT6PPARGCYP3A4GPR27ACLY
SCHEMBL23261498 0.92 SIRT6 (0.84) SIRT6GPR27ACLYIDH1
SCHEMBL23246165 0.91 SIRT6 (0.75) SIRT6PPARGCYP3A4GPR27ACLY
SCHEMBL28355884 0.91 SIRT6 (0.83) SIRT6GPR27ACLYIDH1
SCHEMBL29561258 0.89 SIRT6 (1.00) SIRT6GPR27ACLYALDH1A1
SCHEMBL23260610 0.88 SIRT6 (0.84) SIRT6GPR27ACLYIDH1
SCHEMBL23261497 0.88 SIRT6 (0.77) SIRT6GPR27ACLYIDH1
SCHEMBL23246163 0.87 SIRT6 (0.83) SIRT6GPR27ACLYIDH1
SCHEMBL23260705 0.87 SIRT6 (1.00) SIRT6GPR27ACLYALDH1A1LMNA
SCHEMBL23246158 0.87 SIRT6 (0.83) SIRT6GPR27ACLYIDH1

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
WO-2021073629-A1 COMPOUND HAVING EFFECT OF AGONIZING SIRT6 ACETYLATION ACTIVITY, SIRT6 AGONIST AND USE THEREOF 上海交通大学医学院 2021-04-22 — — WO disclosed
CN-110642757-A Compound with activation SIRT6 acetylation activity, SIRT6 agonist and application thereof 上海交通大学医学院 2020-01-03 — — CN disclosed
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