SCHEMBL21454857

SCHEMBL21454857

COc1nc2cc(C(=O)CC(O)OC(C)(C)C)sc2nc1OC

nearest known ligand 0.44

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 19/20 0.44

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
SCHEMBL21454711 0.79 STING1 (0.52) STING1
SCHEMBL21454834 0.79 STING1 (0.55) STING1
SCHEMBL30500999 0.79 STING1 (0.55) STING1
SCHEMBL21405800 0.78 STING1 (0.44) STING1
SCHEMBL30501006 0.78 STING1 (0.69) STING1
SCHEMBL30501004 0.78 STING1 (0.69) STING1
SCHEMBL30416428 0.78 STING1 (0.44) STING1
SCHEMBL21437118 0.78 STING1 (0.69) STING1
SCHEMBL21437056 0.77 STING1 (0.56) STING1
SCHEMBL21405985 0.77 ALDH1A1 (0.39) 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