SCHEMBL19733023

SCHEMBL19733023

C=CCON([C@H]1CN(C(=O)OC(C)(C)C)[C@@H](CO)C=C1C(C)C)S(=O)(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MET P08581 1/20 0.33
F13A1 P00488 1/20 0.33
TGM2 P21980 1/20 0.33
TGM1 P22735 1/20 0.33
HSD11B1 P28845 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
LMNA P02545 1/20 0.32
TACR1 P25103 3/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL15320717 1.00 MEN1 (0.33) MEN1KMT2AMETF13A1TGM2
SCHEMBL19733022 1.00 MEN1 (0.33) MEN1KMT2AMETF13A1TGM2
SCHEMBL16553003 1.00 MEN1 (0.33) MEN1KMT2AMETF13A1TGM2
SCHEMBL19732982 0.90 PKM (0.34) MEN1KMT2AMETF13A1TGM2
SCHEMBL19732980 0.90 PKM (0.34) MEN1KMT2AMETF13A1TGM2
SCHEMBL16553124 0.90 PKM (0.34) MEN1KMT2AMETF13A1TGM2
SCHEMBL15319501 0.90 PKM (0.34) MEN1KMT2AMETF13A1TGM2
SCHEMBL29593122 0.90 PKM (0.34) MEN1KMT2AMETF13A1TGM2
SCHEMBL16552841 0.90 BCL2 (0.32) MEN1KMT2AMETHSD11B1
SCHEMBL19733014 0.90 BCL2 (0.32) MEN1KMT2AMETHSD11B1

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
EP-2834239-B1 HETEROBICYCLIC COMPOUNDS AS BETA-LACTAMASE INHIBITORS ENTASIS THERAPEUTICS LTD (GB) 2017-12-27 EP disclosed