SCHEMBL25948834

SCHEMBL25948834

O=C(O)c1ccc[n+](CCCS(=O)(=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 2/20 0.52
EIF4H Q15056 1/20 0.52
CTDSP1 Q9GZU7 1/20 0.52
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 3/20 0.43
LMNA P02545 2/20 0.43
HSP90AA1 P07900 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
RAD52 P43351 1/20 0.43
APAF1 O14727 1/20 0.43
USP2 O75604 1/20 0.43
XBP1 P17861 1/20 0.43
HTT P42858 1/20 0.43
BLM P54132 1/20 0.43
CYP2D6 P10635 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 3/20 0.39
RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL19458542 0.87 PABPC1 (0.48) PABPC1EIF4HCTDSP1KMT2AALDH1A1
SCHEMBL20584015 0.87 NPSR1 (0.51) PABPC1EIF4HCTDSP1KMT2AMEN1
SCHEMBL8055397 0.86 KMT2A (0.45) PABPC1EIF4HCTDSP1KMT2AMEN1
SCHEMBL25948750 0.85 LMNA (0.46) PABPC1KMT2AMEN1ALDH1A1LMNA
SCHEMBL14075499 0.84 LMNA (0.56) KMT2AMEN1ALDH1A1LMNAHSP90AA1
SCHEMBL34475336 0.83 CYP2D6 (0.45) PABPC1EIF4HCTDSP1ALDH1A1LMNA
SCHEMBL34474397 0.81 ALDH1A1 (0.69) PABPC1EIF4HCTDSP1ALDH1A1LMNA
SCHEMBL2218131 0.81 KMT2A (0.49) PABPC1KMT2AMEN1ALDH1A1LMNA
SCHEMBL10307404 0.80 HSP90AA1 (0.59) KMT2AMEN1ALDH1A1LMNAHSP90AA1
Iodide SCHEMBL1789963 0.78 HSP90AA1 (0.58) KMT2AMEN1ALDH1A1LMNAHSP90AA1

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
US-20230246229-A1 ORGANIC SULFONATE ELECTROLYTE ADDITIVES FOR ZINC BATTERIES Octet Scientific, Inc. 2023-08-03 US disclosed