SCHEMBL23226366

SCHEMBL23226366

O=C(Nc1ccc(O)c(NS(=O)(=O)c2ccc(F)cc2)c1)c1ccc(-c2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 1/20 1.00
KMT2A Q03164 9/20 0.74
MAPT P10636 5/20 0.74
KDM4E B2RXH2 4/20 0.74
ALDH1A1 P00352 4/20 0.74
LMNA P02545 2/20 0.74
HPGD P15428 1/20 0.74
MEN1 O00255 7/20 0.60
PSMD14 O00487 2/20 0.60
POLB P06746 2/20 0.60
CACNA1B Q00975 2/20 0.60
APBA1 Q02410 2/20 0.60
FGB P02675 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
PLEC Q15149 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
GAA P10253 2/20 0.55
GFER P55789 1/20 0.55
APOBEC3G Q9HC16 1/20 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
SCHEMBL29923263 1.00 STING1 (1.00) STING1KMT2AMAPTKDM4EALDH1A1
SCHEMBL23226600 0.96 STING1 (0.91) STING1KMT2AMAPTKDM4EALDH1A1
SCHEMBL23212639 0.95 STING1 (0.90) STING1KMT2AMAPTKDM4EALDH1A1
SCHEMBL23226646 0.94 STING1 (0.88) STING1KMT2AMAPTKDM4EALDH1A1
SCHEMBL30116587 0.94 STING1 (0.88) STING1KMT2AMAPTKDM4EALDH1A1
SCHEMBL23226363 0.94 STING1 (0.88) STING1KMT2AMAPTKDM4EALDH1A1
SCHEMBL23226373 0.92 STING1 (0.85) STING1KMT2AMAPTKDM4EALDH1A1
SCHEMBL23226634 0.91 STING1 (0.84) STING1KMT2AMAPTKDM4EALDH1A1
SCHEMBL23226665 0.90 STING1 (0.82) STING1KMT2AMAPTKDM4EALDH1A1
SCHEMBL23226410 0.90 STING1 (0.82) STING1KMT2AMAPTKDM4EALDH1A1

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 6 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
CN-112057443-B Medical application of benzene sulfonamide compound and pharmaceutical composition thereof 中国药科大学 2022-10-14 CN disclosed
WO-2021068951-A1 MEDICAL USE OF BENZENESULFONAMIDE COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF 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
CN-112057443-A Medical application of benzene sulfonamide compound and pharmaceutical composition thereof 中国药科大学 2020-12-11 CN disclosed