SCHEMBL25948749

SCHEMBL25948749

Cc1ccc[n+](CCCS(C)(=O)=O)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
PABPC1 P11940 1/20 0.43
ATM Q13315 1/20 0.43
LMNA P02545 3/20 0.40
GGPS1 O95749 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
RAD52 P43351 2/20 0.40
APAF1 O14727 1/20 0.40
POLB P06746 1/20 0.40
BLM P54132 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
STAT3 P40763 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL13868279 0.89 PABPC1 (0.45) KMT2APABPC1ATMLMNAGGPS1
SCHEMBL21523393 0.85 PABPC1 (0.53) PABPC1LMNAGGPS1L3MBTL1KDM4E
SCHEMBL9172343 0.85 PABPC1 (0.45) KMT2APABPC1ATMLMNAGGPS1
Water SCHEMBL2171114 0.83 PABPC1 (0.44) KMT2APABPC1ATMLMNAGGPS1
SCHEMBL16673982 0.83 KDM4E (0.48) KMT2APABPC1ATMLMNAGGPS1
SCHEMBL8739576 0.83 KDM4E (0.53) KMT2APABPC1ATMLMNAKDM4E
SCHEMBL3595417 0.81 KDM4E (0.57) KDM4EHTT
SCHEMBL3597183 0.81 KDM4E (0.57) KDM4EHTT
SCHEMBL3595598 0.81 KDM4E (0.57) KDM4EHTT
SCHEMBL3600673 0.81 KDM4E (0.57) KDM4EHTT

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