SCHEMBL24467471

SCHEMBL24467471

COCCCOc1cc(C(N)=O)cc2nc(N)n(CCCCn3c(N)nc4cc(C(N)=O)cc(Br)c43)c12

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 17/20 0.47
▸ ALDH1A1 P00352 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ NCOA1 Q15788 1/20 0.38
▸ NCOA3 Q9Y6Q9 1/20 0.38
▸ ADORA2A P29274 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
SCHEMBL28614903 0.90 STING1 (0.48) STING1
SCHEMBL19451779 0.90 STING1 (0.48) STING1
SCHEMBL28514112 0.87 STING1 (0.49) STING1ADORA2A
SCHEMBL19451781 0.87 STING1 (0.45) STING1ALDH1A1SMN1; SMN2NCOA1NCOA3
SCHEMBL22121402 0.83 STING1 (0.54) STING1
SCHEMBL19437494 0.80 STING1 (0.49) STING1
SCHEMBL19451814 0.78 STING1 (0.48) STING1
SCHEMBL22135369 0.78 POLB (0.40) STING1ALDH1A1SMN1; SMN2NCOA1NCOA3
SCHEMBL24611738 0.78 STING1 (0.49) STING1
SCHEMBL19437508 0.78 STING1 (0.55) 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
EP-3440076-B1 HETEROCYCLIC AMIDES USEFUL AS PROTEIN MODULATORS GLAXOSMITHKLINE IP DEV LTD (GB) 2022-06-01 — — EP disclosed
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