SCHEMBL21454848

SCHEMBL21454848

CCCC(=O)c1cc2nc(OC)c(Br)cc2s1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 17/20 0.52
NPC1 O15118 1/20 0.39
TSHR P16473 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ACHE P22303 2/20 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
SCHEMBL21437180 0.89 STING1 (0.54) STING1
SCHEMBL25855979 0.89 STING1 (0.48) STING1
SCHEMBL29976400 0.87 STING1 (0.67) STING1
SCHEMBL27191514 0.87 STING1 (0.67) STING1
SCHEMBL21405952 0.82 STING1 (0.49) STING1NPC1RAB9ASMN1; SMN2
SCHEMBL21406152 0.81 STING1 (0.48) STING1NPC1RAB9ASMN1; SMN2
SCHEMBL21406086 0.81 STING1 (0.65) STING1
SCHEMBL21406088 0.81 STING1 (0.65) STING1
SCHEMBL21406349 0.80 STING1 (0.53) STING1
SCHEMBL30666325 0.80 STING1 (0.46) STING1ACHE

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-2019195063-A1 AZA-BENZOTHIOPHENE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2019-10-10 WO disclosed