SCHEMBL23246171

SCHEMBL23246171

Cc1cc(F)c(Br)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NHERF1 O14745 1/20 0.47
▸ MCL1 Q07820 1/20 0.47
▸ SIRT6 Q8N6T7 3/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ CYP3A4 P08684 2/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ TSHR P16473 1/20 0.44
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ LMNA P02545 4/20 0.41
▸ MAPT P10636 4/20 0.41
▸ HTT P42858 4/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ NFKBIA P25963 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ GUSB P08236 1/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ ALOX12 P18054 1/20 0.39

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
SCHEMBL23246167 0.82 SIRT6 (0.62) NHERF1MCL1SIRT6ALDH1A1SMN1; SMN2
SCHEMBL28355424 0.82 NHERF1 (0.43) NHERF1MCL1SIRT6ALDH1A1TDP1
SCHEMBL29335293 0.74 NHERF1 (0.55) NHERF1MCL1ALDH1A1CYP3A4TDP1
SCHEMBL23246177 0.71 SIRT6 (0.49) SIRT6CYP3A4POLB
SCHEMBL23246160 0.70 SIRT6 (0.67) SIRT6TSHRLMNANPSR1
SCHEMBL23246166 0.70 SIRT6 (0.44) SIRT6ALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL30218132 0.69 TSHR (0.58) NHERF1MCL1ALDH1A1TSHRSMN1; SMN2
SCHEMBL23832700 0.69 TSHR (0.58) NHERF1MCL1ALDH1A1TSHRSMN1; SMN2
SCHEMBL10897052 0.68 CYP3A4 (0.58) ALDH1A1CYP3A4TDP1TSHRLMNA
SCHEMBL23261491 0.67 MAPT (0.39) ALDH1A1CYP3A4TDP1TSHRSMN1; SMN2

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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