SCHEMBL29561313

SCHEMBL29561313

Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NS(=O)(=O)c2cc(Br)ccc2Br)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.58
▸ PKM P14618 2/20 0.47
▸ PGR P06401 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.44
▸ EDNRB P24530 1/20 0.44
▸ EDNRA P25101 1/20 0.44
▸ PTGES2 Q9H7Z7 1/20 0.43
▸ CCR2 P41597 2/20 0.43
▸ GPR27 Q9NS67 2/20 0.43
▸ TP53 P04637 3/20 0.42
▸ LMNA P02545 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ AVPR2 P30518 1/20 0.42
▸ SLC10A2 Q12908 1/20 0.42
▸ SLC10A1 Q14973 1/20 0.42
▸ SLC10A6 Q3KNW5 1/20 0.42
▸ IDH1 O75874 1/20 0.41

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
SCHEMBL29562119 0.85 MAPT (0.64) MAPTPKMPGRNPSR1CCR2
SCHEMBL29561797 0.81 MAPT (0.61) MAPTPKMPGRPTGES2TP53
SCHEMBL29562498 0.81 ALDH1A1 (0.62) MAPTPKMPGRLMNAMEN1
SCHEMBL29562105 0.81 MAPT (0.61) MAPTPKMPGRCCR2GPR27
SCHEMBL29562114 0.80 MAPT (0.66) MAPTPKMPGRTP53LMNA
SCHEMBL29561514 0.80 MAPT (0.65) MAPTPKMPGRTP53LMNA
SCHEMBL29561330 0.79 MAPT (0.61) MAPTMEN1KMT2A
SCHEMBL29562337 0.78 MAPT (0.58) MAPTPKMPTGES2TP53LMNA
SCHEMBL29561463 0.78 MAPT (0.67) MAPTPKMPGRTP53LMNA
SCHEMBL29561129 0.77 MAPT (0.65) MAPTPKMPGRTP53POLB

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
Send feedback