SCHEMBL21454850

SCHEMBL21454850

COC(=O)CCC(=O)c1nc2nc(OC)c(OC)cc2s1

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 18/20 0.64
ACHE P22303 1/20 0.37

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
SCHEMBL25855544 0.89 STING1 (0.65) STING1ACHE
SCHEMBL21454820 0.89 STING1 (0.69) STING1
SCHEMBL21437138 0.80 STING1 (0.67) STING1
SCHEMBL21454851 0.80 STING1 (0.81) STING1
SCHEMBL21436922 0.80 STING1 (0.81) STING1
SCHEMBL21437172 0.79 STING1 (0.62) STING1
SCHEMBL21454818 0.78 STING1 (1.00) STING1
SCHEMBL22887088 0.78 STING1 (1.00) STING1
SCHEMBL25855552 0.78 STING1 (0.83) STING1
SCHEMBL25855563 0.78 STING1 (0.83) 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
WO-2019195063-A1 AZA-BENZOTHIOPHENE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2019-10-10 WO disclosed