SCHEMBL25948754

SCHEMBL25948754

C[N+](C)(CCS(=O)(=O)O)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.50
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
TP53 P04637 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 4/20 0.47
ALDH1A1 P00352 3/20 0.44
TDP1 Q9NUW8 3/20 0.44
KDM4E B2RXH2 1/20 0.44
CHRM3 P20309 3/20 0.40
APAF1 O14727 2/20 0.37
USP2 O75604 2/20 0.37
LMNA P02545 2/20 0.37
ERBB2 P04626 2/20 0.37
FYN P06241 2/20 0.37
CHRM2 P08172 2/20 0.37
CHRM4 P08173 2/20 0.37
CYP3A4 P08684 2/20 0.37
CHRM5 P08912 2/20 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
SCHEMBL350935 0.90 DNM1 (0.56) DNM1MEN1KMT2ATP53SMN1; SMN2
SCHEMBL25948742 0.84 DNM1 (0.51) DNM1MEN1KMT2ATP53SMN1; SMN2
SCHEMBL8894036 0.83 DNM1 (0.50) DNM1MEN1KMT2ATP53SMN1; SMN2
SCHEMBL330773 0.82 DNM1 (0.72) DNM1MEN1KMT2ATP53SMN1; SMN2
Benzododecinium SCHEMBL330727 0.82 DNM1 (0.72) DNM1MEN1KMT2ATP53SMN1; SMN2
SCHEMBL331924 0.82 DNM1 (0.72) DNM1MEN1KMT2ATP53SMN1; SMN2
Cetalkonium SCHEMBL27985034 0.81 DNM1 (0.70) DNM1MEN1KMT2ATP53SMN1; SMN2
SCHEMBL330708 0.79 DNM1 (0.79) DNM1MEN1KMT2ATP53SMN1; SMN2
SCHEMBL330484 0.79 DNM1 (0.79) DNM1MEN1KMT2ATP53SMN1; SMN2
Benzododecinium SCHEMBL330694 0.79 DNM1 (0.79) DNM1MEN1KMT2ATP53SMN1; SMN2

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