SCHEMBL21452625

SCHEMBL21452625

CCCC(=O)c1cc2cc(CCCc3cc4cc(C(=O)CCC#N)sc4cc3OC)c(OC)cc2s1

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 16/20 0.67
▸ ACHE P22303 4/20 0.48

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
SCHEMBL21406208 0.96 STING1 (0.73) STING1ACHE
SCHEMBL21452544 0.91 STING1 (0.80) STING1ACHE
SCHEMBL21406165 0.91 STING1 (0.83) STING1ACHE
SCHEMBL21406369 0.90 STING1 (0.65) STING1ACHE
SCHEMBL21405958 0.89 STING1 (0.64) STING1ACHE
SCHEMBL21406153 0.87 STING1 (0.67) STING1ACHE
SCHEMBL21422855 0.85 STING1 (0.62) STING1ACHE
SCHEMBL21452627 0.84 STING1 (0.72) STING1ACHE
SCHEMBL21422972 0.81 STING1 (1.00) STING1ACHE
SCHEMBL21405725 0.80 STING1 (0.67) 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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