SCHEMBL24196166

SCHEMBL24196166

CC(=O)c1ccc([S+](C)[O-])s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
TSHR P16473 1/20 0.46
GSK3B P49841 1/20 0.44
ALDH1A1 P00352 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
CYP3A4 P08684 1/20 0.38
CYP2A6 P11509 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
PRNP P04156 1/20 0.37
RECQL P46063 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
HDAC6 Q9UBN7 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL25211183 0.79 NPSR1 (0.50) LMNATSHRALDH1A1L3MBTL1MAPT
SCHEMBL2872059 0.75 GSK3B (0.67) LMNATSHRGSK3BALDH1A1L3MBTL1
SCHEMBL9816178 0.71
SCHEMBL4480592 0.70
SCHEMBL1356959 0.69 LMNA (0.70) LMNATSHRGSK3BALDH1A1L3MBTL1
SCHEMBL8575623 0.67 LMNA (0.68) LMNATSHRGSK3BALDH1A1L3MBTL1
SCHEMBL20239452 0.67
SCHEMBL3351 0.67
SCHEMBL12569052 0.67 LMNA (0.68) LMNATSHRGSK3BALDH1A1L3MBTL1
SCHEMBL593258 0.67 DAO (0.60) LMNATSHRGSK3BALDH1A1L3MBTL1

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
WO-2022010880-A1 KCNT1 INHIBITORS AND METHODS OF USE PRAXIS PRECISION MEDICINES, INC. (US) 2022-01-13 WO disclosed