SCHEMBL8009547

SCHEMBL8009547

O=[N+]([O-])c1ccc(Oc2c(Cl)cc(S(=O)(=O)Nc3cccc(B(O)O)c3)cc2Cl)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 3/20 0.48
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
CYP2C9 P11712 1/20 0.47
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
GAA P10253 1/20 0.44
PKM P14618 1/20 0.44
ALDH1A1 P00352 4/20 0.43
LMNA P02545 3/20 0.43
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
PGR P06401 1/20 0.42
SLC25A1 P53007 1/20 0.42
MAPK1 P28482 1/20 0.41
HPGD P15428 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CA12 O43570 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40

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
SCHEMBL1471928 0.87 CYP2C9 (0.49) THRAMEN1KMT2ACYP2C9CRHBP
SCHEMBL1471717 0.87 MEN1 (0.53) THRAMEN1KMT2ACYP2C9CRHBP
SCHEMBL1471490 0.86 CYP2C9 (0.51) THRAMEN1KMT2ACYP2C9CRHBP
SCHEMBL1472067 0.85 CYP2C9 (0.52) THRAMEN1KMT2ACYP2C9CRHBP
SCHEMBL1472107 0.85 CYP2C9 (0.49) THRAMEN1KMT2ACYP2C9CRHBP
SCHEMBL1471441 0.84 CRHBP (0.49) THRAMEN1KMT2ACYP2C9CRHBP
SCHEMBL1472466 0.84 MEN1 (0.57) THRAMEN1KMT2ACYP2C9GAA
SCHEMBL1471875 0.83 MEN1 (0.57) THRAMEN1KMT2ACYP2C9GAA
SCHEMBL8009551 0.83 MEN1 (0.53) THRAMEN1KMT2ACYP2C9CRHBP
SCHEMBL1472009 0.83 TRPV1 (0.50) THRAMEN1KMT2ACYP2C9CRHBP

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