SCHEMBL30765071

SCHEMBL30765071

COc1nccc2sc(C(=O)O)c(COc3c(F)cc(C(N)=O)cc3CO)c12

nearest known ligand 0.86

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 17/20 0.86
IKBKB O14920 1/20 0.31

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
SCHEMBL23111973 1.00 STING1 (0.86) STING1IKBKB
SCHEMBL23630822 0.93 STING1 (1.00) STING1IKBKB
SCHEMBL23112089 0.91 STING1 (0.71) STING1
SCHEMBL23635881 0.84 STING1 (0.80) STING1
SCHEMBL23635900 0.81 STING1 (0.69) STING1
SCHEMBL23630804 0.79 STING1 (1.00) STING1
SCHEMBL23635901 0.77 STING1 (0.71) STING1IKBKB
SCHEMBL26781738 0.77 STING1 (0.68) STING1IKBKB
SCHEMBL23635912 0.75 STING1 (0.82) STING1
SCHEMBL23630812 0.75 STING1 (0.65) 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
CN-112424181-B Substituted condensed thiophenes as STING modulators 希泰克斯特私人有限公司 2024-02-27 CN disclosed