SCHEMBL8009397

SCHEMBL8009397

O=C(O)c1ccc(C(=O)Nc2cccc(S(=O)(=O)Nc3cccc(B(O)O)c3)c2)cc1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.65
MEN1 O00255 6/20 0.65
THRB P10828 1/20 0.61
PKM P14618 1/20 0.56
MAPT P10636 2/20 0.56
CASP3 P42574 2/20 0.54
SENP8 Q96LD8 2/20 0.54
SENP7 Q9BQF6 2/20 0.54
SENP6 Q9GZR1 2/20 0.54
PFKFB3 Q16875 1/20 0.51
LMNA P02545 2/20 0.50
HTT P42858 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
TP53 P04637 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL8013313 0.90 POLB (0.59) KMT2AMEN1THRBMAPTPFKFB3
SCHEMBL8018877 0.87 POLB (0.62) KMT2AMEN1THRBMAPTPFKFB3
SCHEMBL1687192 0.85 POLB (0.59) KMT2AMEN1PKMMAPTPFKFB3
SCHEMBL8009400 0.81 KMT2A (0.61) KMT2AMEN1THRBPKMMAPT
SCHEMBL28687053 0.80 MAPT (0.64) KMT2AMEN1THRBPKMMAPT
SCHEMBL29894244 0.80 MAPT (0.64) KMT2AMEN1THRBPKMMAPT
SCHEMBL8010205 0.79 MEN1 (0.59) KMT2AMEN1MAPTTP53SMN1; SMN2
SCHEMBL3502755 0.79 MEN1 (1.00) KMT2AMEN1THRBPKMMAPT
SCHEMBL3789938 0.79 KCNK3 (0.71) KMT2AMEN1MAPTTP53
SCHEMBL2824710 0.78 THRB (0.81) KMT2AMEN1THRBPKMMAPT

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
WO-2000035904-A1 INHIBITORS OF β-LACTAMASES AND USES THEREFOR NORTHWESTERN UNIVERSITY (US) 2000-06-22 WO disclosed