SCHEMBL28280866

SCHEMBL28280866

O=C(O)c1cccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3cc(Cl)cc(Cl)c3)cc2)c1

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.71
MEN1 O00255 6/20 0.65
KMT2A Q03164 6/20 0.65
WDR5 P61964 1/20 0.60
PFKFB3 Q16875 1/20 0.59
MAPT P10636 1/20 0.58
ALDH1A1 P00352 1/20 0.58
PGR P06401 2/20 0.57
CYP19A1 P11511 1/20 0.56
AKR1C3 P42330 1/20 0.54

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
SCHEMBL29561210 1.00 POLB (0.71) POLBMEN1KMT2AWDR5PFKFB3
SCHEMBL17331335 0.89 POLB (0.78) POLBMEN1KMT2AWDR5PFKFB3
SCHEMBL2825155 0.85 CPT1A (0.71) POLBMEN1KMT2AMAPT
SCHEMBL2831061 0.85 PFKFB3 (0.71) POLBMEN1KMT2APFKFB3MAPT
SCHEMBL29875309 0.85 PFKFB3 (0.71) POLBMEN1KMT2APFKFB3MAPT
SCHEMBL29369447 0.85 PFKFB3 (0.71) POLBMEN1KMT2APFKFB3MAPT
SCHEMBL29562342 0.84 PGR (0.72) MEN1KMT2AALDH1A1PGRCYP19A1
SCHEMBL29561272 0.83 PGR (0.67) MEN1KMT2AMAPTALDH1A1PGR
SCHEMBL894613 0.83 POLB (0.82) POLBMEN1KMT2APFKFB3MAPT
SCHEMBL29561644 0.82 HSD17B2 (0.65) MEN1KMT2AALDH1A1PGRCYP19A1

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-A SIRT6 small molecule agonist and its application 上海交通大学医学院 2019-02-26 CN disclosed