SCHEMBL31507494

SCHEMBL31507494

NC(=O)c1csc(NC2COC2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
HTR2B P41595 1/20 0.37
CYP2C19 P33261 1/20 0.37
ACHE P22303 1/20 0.37
CHEK1 O14757 1/20 0.35
KDM1A O60341 3/20 0.35
PI4KB Q9UBF8 2/20 0.35
GRM5 P41594 1/20 0.35
ITGB3 P05106 2/20 0.35
ITGA2B P08514 2/20 0.35
MAPK1 P28482 1/20 0.34
MAPKAPK2 P49137 1/20 0.34
MAP2K1 Q02750 1/20 0.34
DHFR P00374 1/20 0.34
EGFR P00533 1/20 0.34
TRPC3 Q13507 1/20 0.33
TRPC6 Q9Y210 1/20 0.33
FLT3 P36888 1/20 0.33
TYRO3 Q06418 1/20 0.33
MERTK Q12866 1/20 0.33

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
SCHEMBL31507523 0.77 GRM5 (0.40) L3MBTL1ACHECHEK1KDM1AGRM5
SCHEMBL417662 0.73 SMN1; SMN2 (0.44) GRM5
SCHEMBL14543340 0.73 HTR2B (0.45) L3MBTL1HTR2BCYP2C19ACHEKDM1A
SCHEMBL22532118 0.72 GRM5 (0.44) L3MBTL1GRM5MAPK1
SCHEMBL689416 0.72 L3MBTL1 (0.72) L3MBTL1KDM1AMAPK1DHFREGFR
SCHEMBL16397272 0.72 ACHE (0.54) L3MBTL1HTR2BCYP2C19ACHEKDM1A
SCHEMBL21066336 0.70 L3MBTL1 (0.54) L3MBTL1HTR2BCYP2C19ACHEKDM1A
SCHEMBL7136797 0.69 L3MBTL1 (0.49) L3MBTL1HTR2BCYP2C19ACHEKDM1A
SCHEMBL11154890 0.68 TSHR (0.45)
SCHEMBL3456389 0.68 RAB9A (0.55) L3MBTL1PI4KBTRPC3TRPC6

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
CN-119546602-A Pyrrolidone derivatives as inhibitors of nfkb-induced kinase 詹森药业有限公司 2025-02-28 CN disclosed