SCHEMBL28355424

SCHEMBL28355424

Cc1cc(F)c(Br)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1-n1cccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NHERF1 O14745 1/20 0.43
▸ MCL1 Q07820 1/20 0.43
▸ SIRT6 Q8N6T7 3/20 0.42
▸ NFKBIA P25963 1/20 0.40
▸ RELA Q04206 1/20 0.40
▸ GUSB P08236 1/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ LMNA P02545 4/20 0.38
▸ MAPT P10636 4/20 0.38
▸ HTT P42858 4/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ SLC5A1 P13866 1/20 0.38
▸ NCOA1 Q15788 1/20 0.38
▸ NCOA3 Q9Y6Q9 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.37
▸ HPGD P15428 1/20 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
SCHEMBL23246166 0.83 SIRT6 (0.44) SIRT6SMN1; SMN2L3MBTL1MAPTMEN1
SCHEMBL23246171 0.82 NHERF1 (0.47) NHERF1MCL1SIRT6NFKBIARELA
SCHEMBL23260702 0.79 TDP1 (0.39) SMN1; SMN2LMNAMAPTHTTMEN1
SCHEMBL23246167 0.78 SIRT6 (0.62) NHERF1MCL1SIRT6NFKBIARELA
SCHEMBL23260707 0.77 SIRT6 (0.68) SIRT6LMNAMAPTMEN1KMT2A
SCHEMBL13253426 0.68 TDP1 (0.56) L3MBTL1LMNAMAPTHTTALDH1A1
SCHEMBL1744862 0.68 ALDH1A1 (0.53) L3MBTL1LMNAMAPTHTTMEN1
SCHEMBL30218132 0.68 TSHR (0.58) NHERF1MCL1NFKBIARELAGUSB
SCHEMBL23832700 0.68 TSHR (0.58) NHERF1MCL1NFKBIARELAGUSB
SCHEMBL7838979 0.66 ALDH1A1 (0.55) SMN1; SMN2L3MBTL1LMNAMAPTHTT

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-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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