SCHEMBL31286129

SCHEMBL31286129

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 3/20 0.35
MAPT P10636 1/20 0.35
MET P08581 2/20 0.34
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
F13A1 P00488 1/20 0.32
TGM2 P21980 1/20 0.32
TGM1 P22735 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MCL1 Q07820 3/20 0.32
BCL2 P10415 1/20 0.32

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
SCHEMBL29759103 1.00 KMT2A (0.36) KMT2AMEN1ALDH1A1MAPTMET
SCHEMBL15319507 1.00 KMT2A (0.36) KMT2AMEN1ALDH1A1MAPTMET
SCHEMBL19733016 0.93 NPC1 (0.35) KMT2AMEN1ALDH1A1MAPTMET
SCHEMBL29593595 0.93 NPC1 (0.35) KMT2AMEN1ALDH1A1MAPTMET
SCHEMBL15319706 0.93 NPC1 (0.35) KMT2AMEN1ALDH1A1MAPTMET
SCHEMBL19733015 0.93 NPC1 (0.35) KMT2AMEN1ALDH1A1MAPTMET
SCHEMBL16552757 0.93 NPC1 (0.35) KMT2AMEN1ALDH1A1MAPTMET
SCHEMBL16552990 0.92 NR1H2 (0.35) KMT2AMEN1ALDH1A1MAPTMET
SCHEMBL15319628 0.92 NR1H2 (0.35) KMT2AMEN1ALDH1A1MAPTMET
SCHEMBL15320243 0.90 ALDH1A1 (0.36) KMT2AMEN1ALDH1A1MAPTMET

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