SCHEMBL25948742

SCHEMBL25948742

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.51
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
TP53 P04637 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 4/20 0.49
ALDH1A1 P00352 3/20 0.45
TDP1 Q9NUW8 3/20 0.45
KDM4E B2RXH2 1/20 0.45
CHRM3 P20309 3/20 0.40
APAF1 O14727 2/20 0.38
USP2 O75604 2/20 0.38
LMNA P02545 2/20 0.38
ERBB2 P04626 2/20 0.38
FYN P06241 2/20 0.38
CHRM2 P08172 2/20 0.38
CHRM4 P08173 2/20 0.38
CYP3A4 P08684 2/20 0.38
CHRM5 P08912 2/20 0.38

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
SCHEMBL25948726 0.89 DNM1 (0.57) DNM1MEN1KMT2ATP53SMN1; SMN2
SCHEMBL25948754 0.84 DNM1 (0.50) DNM1MEN1KMT2ATP53SMN1; SMN2
SCHEMBL5963139 0.80 DNM1 (0.67) DNM1MEN1KMT2ATP53SMN1; SMN2
Bromide SCHEMBL2355283 0.78 DNM1 (0.68) DNM1MEN1KMT2ATP53SMN1; SMN2
SCHEMBL350935 0.77 DNM1 (0.56) DNM1MEN1KMT2ATP53SMN1; SMN2
SCHEMBL3868824 0.77 DNM1 (0.56) DNM1MEN1KMT2ATP53SMN1; SMN2
Sulfuric Acid SCHEMBL27581443 0.76 DNM1 (0.50) DNM1MEN1KMT2ATP53SMN1; SMN2
SCHEMBL12762153 0.76 DNM1 (0.81) DNM1MEN1KMT2ATP53SMN1; SMN2
SCHEMBL374778 0.75 ALDH1A1 (0.67) DNM1MEN1KMT2ATP53SMN1; SMN2
SCHEMBL13567366 0.74 DNM1 (0.85) 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