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SCHEMBL22352218

SCHEMBL22352218

CC(C)SP1(=O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2OP(=O)(S)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](F)[C@@H]2O1

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 17/20 0.70
▸ LMNA P02545 2/20 0.60
▸ GMNN O75496 1/20 0.60
▸ RAPGEF3 O95398 1/20 0.60
▸ BLM P54132 1/20 0.60
▸ KMT2A Q03164 1/20 0.60
▸ NPSR1 Q6W5P4 1/20 0.60
▸ RAPGEF4 Q8WZA2 1/20 0.60

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
SCHEMBL22352344 1.00 STING1 (0.70) STING1LMNAGMNNRAPGEF3BLM
SCHEMBL18048061 0.91 STING1 (0.81) STING1LMNAGMNNRAPGEF3BLM
SCHEMBL22080171 0.91 STING1 (0.81) STING1LMNAGMNNRAPGEF3BLM
SCHEMBL19944029 0.91 STING1 (0.81) STING1LMNAGMNNRAPGEF3BLM
SCHEMBL22434472 0.91 STING1 (0.81) STING1LMNAGMNNRAPGEF3BLM
SCHEMBL23476812 0.91 STING1 (0.81) STING1LMNAGMNNRAPGEF3BLM
SCHEMBL22434901 0.91 STING1 (0.81) STING1LMNAGMNNRAPGEF3BLM
SCHEMBL22434900 0.91 STING1 (0.81) STING1LMNAGMNNRAPGEF3BLM
SCHEMBL19944133 0.91 STING1 (0.81) STING1LMNAGMNNRAPGEF3BLM
SCHEMBL19944030 0.91 STING1 (0.81) STING1LMNAGMNNRAPGEF3BLM

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-2020165600-A1 BICYCLIC PEPTIDE LIGAND STING CONJUGATES AND USES THEREOF BICYCLETX LIMITED (GB) 2020-08-20 — — WO disclosed
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