SCHEMBL23480294

SCHEMBL23480294

COc1cc2nc(C(=O)CCC(=O)O)sc2cc1/C(F)=C(/F)c1cc2sc(C(=O)CCC(=O)O)nc2cc1OC

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 17/20 0.77
HDAC6 Q9UBN7 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
SCHEMBL23480394 0.90 STING1 (0.81) STING1HDAC6
SCHEMBL21436936 0.87 STING1 (1.00) STING1
SCHEMBL23480325 0.83 STING1 (0.69) STING1
SCHEMBL23480326 0.82 STING1 (0.79) STING1
SCHEMBL23480295 0.82 STING1 (0.79) STING1
SCHEMBL23480321 0.82 STING1 (0.67) STING1
SCHEMBL31081250 0.81 STING1 (0.83) STING1
SCHEMBL21406155 0.81 STING1 (0.81) STING1
SCHEMBL23480293 0.80 STING1 (0.76) STING1
SCHEMBL23480383 0.79 STING1 (0.74) STING1HDAC6

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-2021113679-A1 DIMERIC COMPOUNDS AS STING AGONISTS MERSANA THERAPEUTICS, INC. (US) 2021-06-10 WO disclosed