SCHEMBL23246185

SCHEMBL23246185

NC(=O)c1cc(NS(=O)(=O)c2cc(Br)cc(Br)c2)ccc1S(=O)(=O)Nc1cc(Br)c(F)cc1Br

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SIRT6 Q8N6T7 3/20 0.56
▸ GPR27 Q9NS67 4/20 0.43
▸ POLB P06746 1/20 0.37
▸ FABP4 P15090 5/20 0.37
▸ FABP5 Q01469 2/20 0.37
▸ CA12 O43570 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ ACLY P53396 2/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34

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
SCHEMBL28355248 0.95 SIRT6 (0.54) SIRT6GPR27POLBFABP4FABP5
SCHEMBL28355481 0.92 SIRT6 (0.56) SIRT6GPR27POLBFABP4FABP5
SCHEMBL28355158 0.90 SIRT6 (0.70) SIRT6GPR27FABP4FABP5ACLY
SCHEMBL28359044 0.83 SIRT6 (0.69) SIRT6GPR27FABP4FABP5ACLY
SCHEMBL23260610 0.81 SIRT6 (0.84) SIRT6GPR27POLBFABP4FABP5
SCHEMBL23246163 0.81 SIRT6 (0.83) SIRT6GPR27POLBFABP4FABP5
SCHEMBL23246158 0.81 SIRT6 (0.83) SIRT6GPR27POLBFABP4FABP5
SCHEMBL28883674 0.81 SIRT6 (0.83) SIRT6GPR27POLBFABP4FABP5
SCHEMBL28355358 0.81 SIRT6 (0.83) SIRT6GPR27POLBFABP4FABP5
SCHEMBL29561258 0.72 SIRT6 (1.00) SIRT6GPR27FABP4FABP5ACLY

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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