SCHEMBL29561286

SCHEMBL29561286

COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3C)cc2)c(OC)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.55
▸ CYP19A1 P11511 2/20 0.54
▸ ALDH1A1 P00352 4/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ ALPL P05186 1/20 0.50
▸ LMNA P02545 4/20 0.49
▸ PGR P06401 2/20 0.49
▸ HPGD P15428 1/20 0.48
▸ PKM P14618 1/20 0.48
▸ AVPR2 P30518 1/20 0.48
▸ GPR27 Q9NS67 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL29561528 0.89 MAPT (0.54) MAPTCYP19A1ALDH1A1MEN1KMT2A
SCHEMBL29561462 0.86 RELA (0.58) MAPTCYP19A1MEN1KMT2ALMNA
SCHEMBL29562518 0.84 MAPT (0.63) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL29562355 0.84 MAPT (0.63) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL29562105 0.80 MAPT (0.61) MAPTCYP19A1ALDH1A1MEN1KMT2A
SCHEMBL14048137 0.80 KMT2A (0.57) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL29561797 0.79 MAPT (0.61) MAPTALDH1A1LMNAPGRPKM
SCHEMBL29562498 0.78 ALDH1A1 (0.62) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL18546034 0.78 CYP19A1 (0.73) CYP19A1ALDH1A1MEN1KMT2AALPL
SCHEMBL29562114 0.77 MAPT (0.66) MAPTCYP19A1ALDH1A1LMNAPGR

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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