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SCHEMBL23480366

SCHEMBL23480366

COc1cc2nc(C(=O)CCC(=O)O)sc2cc1Cc1cccc(Cc2cc3sc(C(=O)CCC(=O)O)nc3cc2OC)n1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 13/20 0.69
▸ MAOB P27338 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.38
▸ GAA P10253 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ GLO1 Q04760 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
SCHEMBL23480367 0.89 STING1 (0.72) STING1MAOBKDM4EGAAMAPT
SCHEMBL21436936 0.83 STING1 (1.00) STING1
SCHEMBL23480849 0.82 STING1 (0.67) STING1
SCHEMBL23480293 0.80 STING1 (0.76) STING1MAOBKDM4EGAAMAPT
SCHEMBL23480185 0.79 STING1 (0.63) STING1MAOBKDM4EALDH1A1
SCHEMBL31496318 0.79 STING1 (0.77) STING1MAOB
SCHEMBL21406183 0.79 STING1 (0.77) STING1MAOB
SCHEMBL23480394 0.78 STING1 (0.81) STING1
SCHEMBL23480295 0.78 STING1 (0.79) STING1MAOBKDM4EGAAMAPT
SCHEMBL23480326 0.78 STING1 (0.79) STING1MAOBKDM4EGAAMAPT

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