SCHEMBL8010004

SCHEMBL8010004

Nc1cccc(S(=O)(=O)Nc2cccc(OBOc3cccc(NS(=O)(=O)c4cccc(N)c4)c3)c2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.64
HTR6 P50406 2/20 0.60
PKM P14618 4/20 0.56
ALDH1A1 P00352 4/20 0.51
LMNA P02545 2/20 0.51
PIK3C2B O00750 1/20 0.50
PIK3C2G O75747 1/20 0.50
KMT2A Q03164 2/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CYP19A1 P11511 1/20 0.48
F2 P00734 1/20 0.47
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
PLAU P00749 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
HPGD P15428 1/20 0.46
GAA P10253 1/20 0.46
MEN1 O00255 1/20 0.46

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
SCHEMBL7997927 0.87 HTR6 (0.66) HTR6PKMALDH1A1LMNAKMT2A
SCHEMBL28271796 0.83 HTR6 (0.83) POLBHTR6PKMALDH1A1LMNA
SCHEMBL20323615 0.82 HTR6 (0.66) POLBHTR6PKMALDH1A1LMNA
SCHEMBL8010014 0.79 PGR (0.65) POLBHTR6PKMALDH1A1LMNA
SCHEMBL3973555 0.79 POLB (1.00) POLBHTR6PKMALDH1A1LMNA
SCHEMBL8013318 0.78 POLB (0.55) POLBALDH1A1KMT2ACA1CA2
SCHEMBL8018878 0.76 POLB (0.59) POLBALDH1A1KMT2ACA1CA2
SCHEMBL8013124 0.76 CA2 (0.61) POLBPKMALDH1A1LMNAKMT2A
SCHEMBL2723618 0.76 HTR6 (1.00) POLBHTR6PKMALDH1A1LMNA
SCHEMBL28509432 0.76 HTR6 (0.75) POLBHTR6PKMALDH1A1LMNA

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