SCHEMBL25795405

SCHEMBL25795405

CC(C)c1ccc2c(c1)CCCNC2=O

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PARP11 Q9NR21 9/20 0.51
PARP10 Q53GL7 9/20 0.51
GSK3B P49841 1/20 0.43
HPGD P15428 1/20 0.42
GFER P55789 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GRM5 P41594 6/20 0.41
PARP1 P09874 2/20 0.41
PDPK1 O15530 1/20 0.41

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
SCHEMBL279822 0.90 PARP10 (0.63) PARP11PARP10GRM5PARP1PDPK1
SCHEMBL25609113 0.88 HPGD (0.52) PARP11PARP10GSK3BHPGDGFER
SCHEMBL279725 0.80 CLK4 (0.49) PARP11PARP10GSK3BHPGDGFER
SCHEMBL25124516 0.79 PARP11 (0.49) PARP11PARP10GSK3BGFERGRM5
SCHEMBL12090727 0.79 PARP10 (0.81) PARP11PARP10GSK3BGFERGRM5
SCHEMBL2611066 0.78 PARP10 (0.63) PARP11PARP10HPGDGFERHSD17B10
SCHEMBL12376488 0.77 MAOA (0.56) HSD17B10GRM5
SCHEMBL6421470 0.77 MAPT (0.50) HPGDGFERHSD17B10
SCHEMBL1888691 0.76 PARP10 (0.60) PARP11PARP10GSK3BGRM5PARP1
SCHEMBL23160447 0.76 PARP10 (0.60) PARP11PARP10GSK3BGRM5PARP1

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-2023109912-A1 3, 4-DIHYDROISOQUINOLIN-1 (2H) -ONES DERIVATIVES AS STING ANTAGONISTS AND THE USE THEREOF BEIGENE, LTD. (KY) 2023-06-22 WO disclosed