SCHEMBL21452831

SCHEMBL21452831

COc1cc2sc(C(=O)CCC(=O)OC(C)(C)C)cc2cc1I

nearest known ligand 0.82

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 18/20 0.82
▸ ACHE P22303 2/20 0.55

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
SCHEMBL20022184 0.90 STING1 (1.00) STING1ACHE
SCHEMBL21405833 0.87 STING1 (0.84) STING1ACHE
SCHEMBL21406406 0.86 STING1 (0.82) STING1ACHE
SCHEMBL21406507 0.83 STING1 (0.82) STING1ACHE
SCHEMBL21405817 0.82 STING1 (0.83) STING1ACHE
SCHEMBL21406317 0.81 STING1 (0.73) STING1ACHE
SCHEMBL21422968 0.81 STING1 (0.81) STING1ACHE
SCHEMBL21406370 0.81 STING1 (0.81) STING1ACHE
SCHEMBL21406412 0.80 STING1 (0.72) STING1ACHE
SCHEMBL21405941 0.80 STING1 (0.72) 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
WO-2019195124-A1 BENZOTHIOPHENES AND RELATED COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2019-10-10 — — WO disclosed
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