SCHEMBL21454844

SCHEMBL21454844

CCCC(C)C(C(=O)OC(C)(C)C)C(=O)c1cc2nc(OC)c(OC)cc2s1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 19/20 0.52
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32

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
SCHEMBL21454846 0.89 STING1 (0.50) STING1
SCHEMBL21454815 0.87 STING1 (0.51) STING1
SCHEMBL21437395 0.84 STING1 (0.54) STING1
SCHEMBL21437314 0.79 STING1 (0.58) STING1
SCHEMBL30416399 0.78 STING1 (0.58) STING1
SCHEMBL21406360 0.78 STING1 (0.58) STING1
SCHEMBL21438284 0.76 STING1 (0.60) STING1
SCHEMBL21437127 0.75 STING1 (0.62) STING1
SCHEMBL21405764 0.75 STING1 (0.59) STING1
SCHEMBL30416824 0.75 STING1 (0.59) 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