SCHEMBL8055397

SCHEMBL8055397

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 2/20 0.44
HSP90AA1 P07900 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
RAD52 P43351 1/20 0.44
APAF1 O14727 1/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
XBP1 P17861 1/20 0.44
HTT P42858 1/20 0.44
BLM P54132 1/20 0.44
CYP2D6 P10635 1/20 0.43
KDM4E B2RXH2 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PABPC1 P11940 2/20 0.37
ATM Q13315 1/20 0.37
EIF4H Q15056 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37

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
SCHEMBL25948834 0.86 PABPC1 (0.52) KMT2AMEN1LMNAHSP90AA1NPSR1
SCHEMBL25948750 0.86 LMNA (0.46) KMT2AMEN1LMNAHSP90AA1NPSR1
SCHEMBL12296691 0.86 LMNA (0.46) KMT2ALMNAHSP90AA1NPSR1SMN1; SMN2
SCHEMBL29559854 0.86 NPSR1 (0.52) KMT2AMEN1LMNAHSP90AA1NPSR1
SCHEMBL28667361 0.86 NPSR1 (0.52) KMT2AMEN1LMNAHSP90AA1NPSR1
SCHEMBL14075499 0.85 LMNA (0.56) KMT2AMEN1LMNAHSP90AA1NPSR1
SCHEMBL8055932 0.83 PABPC1 (0.41) KMT2AMEN1HSP90AA1APAF1ALDH1A1
SCHEMBL2218131 0.82 KMT2A (0.49) KMT2AMEN1LMNAHSP90AA1NPSR1
SCHEMBL10307404 0.81 HSP90AA1 (0.59) KMT2AMEN1LMNAHSP90AA1NPSR1
SCHEMBL19307841 0.80 ALDH1A1 (0.70) LMNAHSP90AA1NPSR1SMN1; SMN2RAD52

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 3 patents. 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
US-20230246229-A1 ORGANIC SULFONATE ELECTROLYTE ADDITIVES FOR ZINC BATTERIES Octet Scientific, Inc. 2023-08-03 US disclosed
WO-2009060206-A1 3,4,6,7-TETRAHYDRO-1H-PYRROLO[3,4-D]PYRIMIDINE-2,5-DIONES AND THEIR THERAPEUTIC USE ARGENTA DISCOVERY LIMITED (GB) 2009-05-14 WO disclosed