SCHEMBL23212328

SCHEMBL23212328

COc1ccc(S(=O)(=O)Nc2cc(NC(=O)c3ccc(-c4ccccc4)cc3)ccc2O)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 1/20 0.76
ALDH1A1 P00352 7/20 0.68
MAPT P10636 7/20 0.68
KMT2A Q03164 7/20 0.68
LMNA P02545 7/20 0.68
KDM4E B2RXH2 3/20 0.68
HPGD P15428 2/20 0.68
ADORA3 P0DMS8 1/20 0.58
MEN1 O00255 6/20 0.57
POLB P06746 2/20 0.57
PSMD14 O00487 1/20 0.57
FGB P02675 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
CACNA1B Q00975 1/20 0.57
APBA1 Q02410 1/20 0.57
PLEC Q15149 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
TRPV1 Q8NER1 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.55

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
SCHEMBL23226400 0.89 STING1 (0.80) STING1ALDH1A1MAPTKMT2ALMNA
SCHEMBL30116598 0.87 STING1 (0.77) STING1ALDH1A1MAPTKMT2ALMNA
SCHEMBL23212621 0.87 STING1 (0.77) STING1ALDH1A1MAPTKMT2ALMNA
SCHEMBL23226616 0.86 STING1 (0.80) STING1ALDH1A1MAPTKMT2ALMNA
SCHEMBL30116686 0.86 STING1 (0.80) STING1ALDH1A1MAPTKMT2ALMNA
SCHEMBL30116582 0.86 STING1 (0.80) STING1ALDH1A1MAPTKMT2ALMNA
SCHEMBL23226664 0.86 STING1 (0.80) STING1ALDH1A1MAPTKMT2ALMNA
SCHEMBL23226366 0.86 STING1 (1.00) STING1ALDH1A1MAPTKMT2ALMNA
SCHEMBL23226667 0.86 STING1 (0.80) STING1ALDH1A1MAPTKMT2ALMNA
SCHEMBL30116656 0.86 STING1 (0.80) STING1ALDH1A1MAPTKMT2ALMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112409223-B Amide compound and medical application thereof as STING inhibitor 中国药科大学 2023-01-31 CN disclosed
WO-2021068950-A1 AMIDE COMPOUND AND MEDICAL USE THEREOF AS STING INHIBITOR 中国药科大学 2021-04-15 WO disclosed
WO-2021068950-A1 AMIDE COMPOUND AND MEDICAL USE THEREOF AS STING INHIBITOR 中国药科大学 2021-04-15 WO disclosed
CN-112409223-A Amide compounds and medical application thereof as STING inhibitor 中国药科大学 2021-02-26 CN disclosed