SCHEMBL23480321

SCHEMBL23480321

COc1cc2nc(C(=O)CCC(=O)O)sc2cc1CNC(=O)c1cc2sc(C(=O)CCC(=O)O)nc2cc1OC

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 8/20 0.67
MAOB P27338 7/20 0.48
MAPT P10636 2/20 0.38
THRB P10828 1/20 0.38
TP53 P04637 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38

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 0.84 STING1 (0.81) STING1
SCHEMBL23480325 0.83 STING1 (0.69) STING1MAPTTP53RXFP1
SCHEMBL23480294 0.82 STING1 (0.77) STING1
SCHEMBL21436936 0.81 STING1 (1.00) STING1
SCHEMBL23480367 0.79 STING1 (0.72) STING1MAOBMAPT
SCHEMBL23480326 0.78 STING1 (0.79) STING1MAOBMAPT
SCHEMBL31496318 0.77 STING1 (0.77) STING1MAOB
SCHEMBL21406183 0.77 STING1 (0.77) STING1MAOB
SCHEMBL23480366 0.77 STING1 (0.69) STING1MAOBMAPT
SCHEMBL23480295 0.76 STING1 (0.79) STING1MAOBMAPT

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