SCHEMBL30416824

SCHEMBL30416824

COc1cc2sc(C(=O)CC(=O)OC(C)(C)C)cc2nc1OC

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 17/20 0.59
ACHE P22303 3/20 0.43

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
SCHEMBL21405764 1.00 STING1 (0.59) STING1ACHE
SCHEMBL21454650 0.89 STING1 (0.65) STING1ACHE
SCHEMBL30666325 0.87 STING1 (0.46) STING1ACHE
SCHEMBL25692990 0.87 STING1 (0.46) STING1ACHE
SCHEMBL21406360 0.85 STING1 (0.58) STING1ACHE
SCHEMBL30416399 0.85 STING1 (0.58) STING1ACHE
SCHEMBL21406404 0.84 STING1 (0.72) STING1
SCHEMBL25694179 0.82 STING1 (0.63) STING1ACHE
SCHEMBL21452731 0.82 STING1 (0.48) STING1ACHE
SCHEMBL30416428 0.82 STING1 (0.44) STING1ACHE

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-111971277-B Benzothiophenes and related compounds as STING agonists 默沙东有限责任公司 2023-06-06 CN disclosed