SCHEMBL25948726

SCHEMBL25948726

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

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.57
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
TP53 P04637 1/20 0.56
MAPK1 P28482 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
HTT P42858 2/20 0.54
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CHRM3 P20309 1/20 0.39
PSMD14 O00487 1/20 0.38
HSP90AA1 P07900 1/20 0.38
MMP2 P08253 1/20 0.38
MC4R P32245 1/20 0.38
RAD52 P43351 1/20 0.38
POLB P06746 1/20 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
SCHEMBL25948742 0.89 DNM1 (0.51) DNM1MEN1KMT2ATP53MAPK1
SCHEMBL3868824 0.85 DNM1 (0.56) DNM1MEN1KMT2ATP53MAPK1
SCHEMBL350935 0.85 DNM1 (0.56) DNM1MEN1KMT2ATP53MAPK1
SCHEMBL12762153 0.81 DNM1 (0.81) DNM1MEN1KMT2ATP53MAPK1
SCHEMBL13326547 0.79 DNM1 (0.85) DNM1MEN1KMT2ATP53MAPK1
SCHEMBL13567366 0.79 DNM1 (0.85) DNM1MEN1KMT2ATP53MAPK1
SCHEMBL4454094 0.79 DNM1 (0.85) DNM1MEN1KMT2ATP53MAPK1
Bromide SCHEMBL14937200 0.79 DNM1 (0.81) DNM1MEN1KMT2ATP53MAPK1
SCHEMBL330867 0.78 DNM1 (0.79) DNM1MEN1KMT2ATP53MAPK1
SCHEMBL330866 0.78 DNM1 (0.79) DNM1MEN1KMT2ATP53MAPK1

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