SCHEMBL21452861

SCHEMBL21452861

CCCC(=O)c1cc2cc(OC)c(Br)cc2s1

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 16/20 0.77
▸ ACHE P22303 4/20 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
SCHEMBL20049658 0.95 STING1 (0.77) STING1ACHE
SCHEMBL20049542 0.89 STING1 (0.76) STING1ACHE
SCHEMBL20022194 0.88 STING1 (0.76) STING1ACHE
SCHEMBL21452706 0.88 STING1 (0.80) STING1ACHE
SCHEMBL20022244 0.88 STING1 (0.80) STING1
SCHEMBL21452768 0.87 STING1 (0.61) STING1ACHE
SCHEMBL20022243 0.87 STING1 (1.00) STING1ACHE
SCHEMBL21437030 0.86 STING1 (0.79) STING1ACHE
SCHEMBL20049453 0.85 STING1 (0.67) STING1ACHE
SCHEMBL20049659 0.84 STING1 (0.79) 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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