SCHEMBL24196385

SCHEMBL24196385

CCS(=O)(=S)c1ccc(C(=O)OC)s1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.68
NPSR1 Q6W5P4 2/20 0.68
PPARG P37231 1/20 0.68
NCOA2 Q15596 1/20 0.68
NCOA1 Q15788 1/20 0.68
NCOA3 Q9Y6Q9 1/20 0.68
HPGD P15428 3/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
TSHR P16473 2/20 0.49
MAPK1 P28482 1/20 0.49
ATM Q13315 1/20 0.49
MAPT P10636 4/20 0.38
KDM4E B2RXH2 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.37
PARP1 P09874 1/20 0.36
LOX P28300 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL22652251 0.83 NPSR1 (0.72) LMNANPSR1PPARGNCOA2NCOA1
SCHEMBL14284027 0.80 NPSR1 (0.77) LMNANPSR1PPARGNCOA2NCOA1
SCHEMBL18090589 0.78 NPSR1 (0.74) LMNANPSR1PPARGNCOA2NCOA1
SCHEMBL2006698 0.78 NPSR1 (0.74) LMNANPSR1PPARGNCOA2NCOA1
SCHEMBL25848872 0.77 LMNA (0.72) LMNANPSR1PPARGNCOA2NCOA1
SCHEMBL25848977 0.75 LMNA (0.70) LMNANPSR1PPARGNCOA2NCOA1
SCHEMBL70027 0.74 NPSR1 (0.67) LMNANPSR1PPARGNCOA2NCOA1
SCHEMBL24667372 0.73 NPSR1 (0.66) LMNANPSR1PPARGNCOA2NCOA1
SCHEMBL24667362 0.71 LMNA (0.62) LMNANPSR1PPARGNCOA2NCOA1
SCHEMBL24667471 0.71 LMNA (0.62) LMNANPSR1PPARGNCOA2NCOA1

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