SCHEMBL23246177

SCHEMBL23246177

CC(=O)Nc1cc(N)ccc1S(=O)(=O)Nc1cc(Br)c(F)cc1C

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SIRT6 Q8N6T7 3/20 0.49
▸ POLB P06746 1/20 0.45
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ CA9 Q16790 2/20 0.41
▸ PIK3C3 Q8NEB9 5/20 0.41
▸ NPC1 O15118 1/20 0.39
▸ SLC40A1 Q9NP59 1/20 0.38
▸ IDO1 P14902 2/20 0.38

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
SCHEMBL23261505 0.90 POLB (0.50) SIRT6POLBCYP3A4CYP2C19CA1
SCHEMBL23246160 0.81 SIRT6 (0.67) SIRT6
SCHEMBL23261499 0.80 SIRT6 (0.75) SIRT6CYP3A4CYP2C19IDO1
SCHEMBL23246166 0.77 SIRT6 (0.44) SIRT6POLB
SCHEMBL1316516 0.76 HDAC1 (0.45) SIRT6POLBCYP3A4CYP2C19CA1
SCHEMBL11358245 0.73 CA1 (0.53) POLBCYP2C19CA1CA2CA9
SCHEMBL23246171 0.71 NHERF1 (0.47) SIRT6POLBCYP3A4
SCHEMBL31219804 0.71 L3MBTL1 (0.51) POLBCYP2C19CA1CA2CA9
SCHEMBL9459478 0.71 NPC1 (0.50) POLBCYP2C19CA1CA2CA9
SCHEMBL377108 0.70 HDAC1 (0.45) POLBCYP3A4CYP2C19CA1CA2

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 3 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
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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