SCHEMBL29593122

SCHEMBL29593122

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

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.34
GAA P10253 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MET P08581 2/20 0.34
F13A1 P00488 1/20 0.34
TGM2 P21980 1/20 0.34
TGM1 P22735 1/20 0.34
ALDH1A1 P00352 2/20 0.32
MAPT P10636 1/20 0.32
HSD11B1 P28845 1/20 0.32
LMNA P02545 2/20 0.32
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NR1D1 P20393 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL19732980 1.00 PKM (0.34) PKMGAAMEN1KMT2AMET
SCHEMBL16553124 1.00 PKM (0.34) PKMGAAMEN1KMT2AMET
SCHEMBL19732982 1.00 PKM (0.34) PKMGAAMEN1KMT2AMET
SCHEMBL15319501 1.00 PKM (0.34) PKMGAAMEN1KMT2AMET
SCHEMBL16553251 0.91 MEN1 (0.33) PKMGAAMEN1KMT2AMET
SCHEMBL15320363 0.91 MEN1 (0.33) PKMGAAMEN1KMT2AMET
SCHEMBL28696595 0.90 PKM (0.36) PKMGAAMEN1KMT2AALDH1A1
SCHEMBL29759092 0.90 PKM (0.36) PKMGAAMEN1KMT2AALDH1A1
SCHEMBL19733023 0.90 MEN1 (0.33) MEN1KMT2AMETF13A1TGM2
SCHEMBL19733022 0.90 MEN1 (0.33) MEN1KMT2AMETF13A1TGM2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114591223-B Beta-lactamase inhibitor compounds 恩塔西斯治疗有限公司 2025-01-24 CN disclosed
CN-114591223-A Beta-lactamase inhibitor compounds 恩塔西斯治疗有限公司 2022-06-07 CN disclosed