SCHEMBL29562498

SCHEMBL29562498

Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.62
▸ SMN1; SMN2 Q16637 1/20 0.62
▸ MAPT P10636 3/20 0.61
▸ HTT P42858 2/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ MCL1 Q07820 5/20 0.53
▸ HPGD P15428 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ CDK1 P06493 1/20 0.50
▸ CCNB1 P14635 1/20 0.50
▸ CCNA2 P20248 1/20 0.50
▸ CDK2 P24941 1/20 0.50
▸ CDK7 P50613 1/20 0.50
▸ CCNH P51946 1/20 0.50
▸ CCNA1 P78396 1/20 0.50
▸ PTGDR2 Q9Y5Y4 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL29562105 0.91 MAPT (0.61) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL29562114 0.85 MAPT (0.66) ALDH1A1MAPTPTGDR2LMNAPKM
SCHEMBL29561797 0.84 MAPT (0.61) ALDH1A1MAPTLMNAPKMPGR
SCHEMBL29561514 0.82 MAPT (0.65) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL29561330 0.81 MAPT (0.61) ALDH1A1MAPTMEN1KMT2A
SCHEMBL29562337 0.81 MAPT (0.58) ALDH1A1MAPTMEN1KMT2ATSHR
SCHEMBL29562119 0.81 MAPT (0.64) ALDH1A1MAPTMEN1KMT2ATSHR
SCHEMBL29561463 0.81 MAPT (0.67) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL29561313 0.81 MAPT (0.58) MAPTMEN1KMT2ALMNAPKM
SCHEMBL29561129 0.80 MAPT (0.65) ALDH1A1MAPTMEN1KMT2ATDP1

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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