SCHEMBL29561267

SCHEMBL29561267

Cc1cc(F)c(Br)cc1NS(=O)(=O)c1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1CCl

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT6 Q8N6T7 3/20 0.72
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ GPR27 Q9NS67 1/20 0.37
▸ PSEN1 P49768 3/20 0.37
▸ PSEN2 P49810 3/20 0.37
▸ APH1B Q8WW43 3/20 0.37
▸ NCSTN Q92542 3/20 0.37
▸ APH1A Q96BI3 3/20 0.37
▸ PSENEN Q9NZ42 3/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ CYP2D6 P10635 2/20 0.37
▸ ACLY P53396 2/20 0.37
▸ IDH1 O75874 1/20 0.36
▸ CCR2 P41597 2/20 0.36
▸ THRB P10828 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HTR6 P50406 2/20 0.36

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
SCHEMBL29561557 0.91 SIRT6 (0.73) SIRT6ALDH1A1LMNAPKMGPR27
SCHEMBL24625533 0.89 SIRT6 (0.67) SIRT6ALDH1A1LMNAPKMGPR27
SCHEMBL29562488 0.84 SIRT6 (0.71) SIRT6ALDH1A1LMNAGPR27PSEN1
SCHEMBL23260707 0.84 SIRT6 (0.68) SIRT6ALDH1A1LMNAPKMGPR27
SCHEMBL29561258 0.83 SIRT6 (1.00) SIRT6ALDH1A1GPR27ACLY
SCHEMBL23260622 0.83 SIRT6 (0.70) SIRT6PKMACLY
SCHEMBL23261498 0.83 SIRT6 (0.84) SIRT6GPR27ACLYIDH1
SCHEMBL23261499 0.83 SIRT6 (0.75) SIRT6ALDH1A1PKMGPR27CYP3A4
SCHEMBL23260610 0.83 SIRT6 (0.84) SIRT6GPR27ACLYIDH1
SCHEMBL23260612 0.82 SIRT6 (0.80) SIRT6ALDH1A1LMNAGPR27CYP3A4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109384694-B SIRT6 small-molecule agonist and application thereof 上海爱乐维生物科技有限公司 2022-04-05 — — CN disclosed
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