SCHEMBL23480295

SCHEMBL23480295

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

nearest known ligand 0.79

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 15/20 0.79
GLO1 Q04760 1/20 0.42
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
MAOB P27338 1/20 0.39

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
SCHEMBL21436936 0.89 STING1 (1.00) STING1
SCHEMBL23480394 0.84 STING1 (0.81) STING1
SCHEMBL23480326 0.83 STING1 (0.79) STING1GLO1KDM4EMEN1ALDH1A1
SCHEMBL31081250 0.82 STING1 (0.83) STING1KDM4EGAAMAPT
SCHEMBL23480294 0.82 STING1 (0.77) STING1
SCHEMBL21406155 0.81 STING1 (0.81) STING1
SCHEMBL23480293 0.81 STING1 (0.76) STING1GLO1KDM4EMEN1ALDH1A1
SCHEMBL23480383 0.80 STING1 (0.74) STING1MAOB
SCHEMBL21406183 0.80 STING1 (0.77) STING1MAOB
SCHEMBL31496318 0.80 STING1 (0.77) STING1MAOB

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