SCHEMBL25690672

SCHEMBL25690672

Brc1cnc2c(c1)CN(I)C2

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABHD6 Q9BV23 1/20 0.47
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
GRIN3A Q8TCU5 1/20 0.32
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL25045631 0.78 ABHD6 (0.30) ABHD6
SCHEMBL21622374 0.78 ABHD6 (0.44) ABHD6HTTKMT2AHSD17B10
SCHEMBL14881091 0.77 ABHD6 (0.47) ABHD6HTTKMT2AHSD17B10
SCHEMBL21591731 0.75 ABHD6 (0.59) ABHD6HTTKMT2A
SCHEMBL21802762 0.74 ABHD6 (0.58) ABHD6HTTKMT2A
SCHEMBL21937114 0.70 ABHD6 (0.42) ABHD6HTT
SCHEMBL21815363 0.69 ABHD6 (0.41) ABHD6
SCHEMBL30033295 0.69 CYP2C19 (0.44) ABHD6KMT2AGRIN2DGRIN3BGRIN1
SCHEMBL8022098 0.69 CYP2C19 (0.44) ABHD6KMT2AGRIN2DGRIN3BGRIN1
SCHEMBL723952 0.68 ABHD6 (0.49) ABHD6HTT

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-2023109942-A1 COMPOUND-LINKER CONSTRUCTS COMPRISING NOVEL COMPOUNDS USEFUL AS STING AGONISTS AND USES THEREOF JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2023-06-22 WO disclosed