SCHEMBL25840100

SCHEMBL25840100

CC(C)(COC(N)=O)c1cccc(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.48
GRIN3B O60391 1/20 0.48
GRIN1 Q05586 1/20 0.48
GRIN2A Q12879 1/20 0.48
GRIN2B Q13224 1/20 0.48
GRIN2C Q14957 1/20 0.48
GRIN3A Q8TCU5 1/20 0.48
SCN5A Q14524 3/20 0.46
SCN9A Q15858 3/20 0.46
PKM P14618 1/20 0.42
POLB P06746 1/20 0.41
PARP1 P09874 1/20 0.41
KIF11 P52732 4/20 0.41
CCR6 P51684 1/20 0.39
KCNH2 Q12809 1/20 0.39
MAPT P10636 2/20 0.38
VNN1 O95497 1/20 0.37
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
RIPK1 Q13546 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
SCHEMBL24112625 0.86 GRIN2D (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL24019663 0.84 GRIN2D (0.54) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL25769445 0.84 GRIN2D (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL24112753 0.82 MAPT (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL28781154 0.82 PARP1 (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL27278401 0.80 KIF11 (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4590400 0.80 MAPT (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL25846417 0.80 GRIN2D (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL24740258 0.79 MAPT (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29154737 0.78 SCN5A (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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-2023125825-A1 ANTICORONVIRAL COMPOUNDS AND COMPOSITIONS AND USES THEREOF SHANGHAI CUREGENE PHARMACEUTICAL CO., LTD. (CN) 2023-07-06 WO disclosed