SCHEMBL30666325

SCHEMBL30666325

COc1nc2cc(C(=O)CC(=O)OC(C)(C)C)sc2cc1Br

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 10/20 0.46
PPOX P50336 3/20 0.37
ACHE P22303 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
PTPN2 P17706 1/20 0.33
LCK P06239 2/20 0.33
LIPG Q9Y5X9 1/20 0.33
DYRK1A Q13627 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
SCHEMBL25692990 1.00 STING1 (0.46) STING1PPOXACHEMTNR1AMTNR1B
SCHEMBL30416824 0.87 STING1 (0.59) STING1ACHE
SCHEMBL21405764 0.87 STING1 (0.59) STING1ACHE
SCHEMBL21405800 0.81 STING1 (0.44) STING1ACHEMTNR1AMTNR1BLIPG
SCHEMBL30416428 0.81 STING1 (0.44) STING1ACHEMTNR1AMTNR1BLIPG
SCHEMBL21454848 0.80 STING1 (0.52) STING1ACHE
SCHEMBL21437180 0.79 STING1 (0.54) STING1
SCHEMBL25855979 0.79 STING1 (0.48) STING1
SCHEMBL21405952 0.78 STING1 (0.49) STING1PTPN2
SCHEMBL21406350 0.77 STING1 (0.53) STING1

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-117203194-A Novel compounds useful as STING agonists and uses thereof 北京加科思新药研发有限公司 2023-12-08 CN disclosed