SCHEMBL30416880

SCHEMBL30416880

COc1cc2sc(C(=O)O)cc2nc1OC

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 15/20 0.67
TBXAS1 P24557 1/20 0.39
ALOX15 P16050 1/20 0.39
ATM Q13315 1/20 0.39
BCL2L1 Q07817 1/20 0.39
GPR35 Q9HC97 1/20 0.39
PIK3CG P48736 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
SCHEMBL21405741 1.00 STING1 (0.67) STING1TBXAS1ALOX15ATMBCL2L1
SCHEMBL21406404 0.85 STING1 (0.72) STING1
SCHEMBL21436976 0.84 STING1 (0.67) STING1
SCHEMBL21405952 0.84 STING1 (0.49) STING1BCL2L1GPR35
SCHEMBL30416399 0.83 STING1 (0.58) STING1PIK3CG
SCHEMBL21406360 0.83 STING1 (0.58) STING1PIK3CG
SCHEMBL21454650 0.82 STING1 (0.65) STING1
SCHEMBL22887142 0.82 STING1 (0.65) STING1
SCHEMBL25855947 0.81 STING1 (0.64) STING1
SCHEMBL21454707 0.81 STING1 (1.00) 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-111971277-B Benzothiophenes and related compounds as STING agonists 默沙东有限责任公司 2023-06-06 CN disclosed