SCHEMBL28017014

SCHEMBL28017014

Cc1ccc(S(=O)(=O)n2c(-c3ccccc3)cc3ccccc32)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.69
CA9 Q16790 3/20 0.69
CA2 P00918 2/20 0.69
NOD1 Q9Y239 3/20 0.55
NOD2 Q9HC29 2/20 0.55
ACLY P53396 3/20 0.53
ALDH3A1 P30838 2/20 0.52
ALOX5 P09917 1/20 0.52
AGTR1 P30556 1/20 0.51
GAA P10253 2/20 0.50
CXCL8 P10145 1/20 0.50
ALDH1A1 P00352 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KMT2A Q03164 1/20 0.47
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
HPGD P15428 2/20 0.47

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
SCHEMBL28414154 0.96 CA12 (0.71) CA12CA9CA2NOD1NOD2
SCHEMBL28529811 0.90 CA2 (0.56) CA12CA9CA2NOD1NOD2
SCHEMBL28017010 0.90 ACLY (0.61) CA12CA9CA2NOD1NOD2
SCHEMBL3558164 0.90 CA12 (0.78) CA12CA9CA2NOD1ACLY
SCHEMBL28017016 0.89 CA12 (0.63) CA12CA9CA2NOD1NOD2
SCHEMBL28017013 0.89 CA12 (0.63) CA12CA9CA2NOD1NOD2
SCHEMBL28532284 0.88 CA9 (0.61) CA12CA9CA2NOD1NOD2
SCHEMBL29596783 0.87 CA12 (0.54) CA12CA9CA2NOD1NOD2
SCHEMBL28519189 0.87 CA12 (0.54) CA12CA9CA2NOD1NOD2
SCHEMBL28523374 0.87 CA12 (0.60) CA12CA9CA2NOD1NOD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104592086-A Method for preparing indole compound through copper salt catalysis UNIV TAIZHOU 2015-05-06 CN claimed
CN-111285792-B 2-substituted indole compound and preparation method thereof 三峡大学 2023-05-02 CN disclosed
CN-110938027-B Synthetic method of indole derivatives 河北凯诺中星科技有限公司 2022-11-25 CN disclosed
CN-112358432-B Synthetic method of indole derivatives 天津大学 2022-06-10 CN disclosed
CN-109651228-B Catalytic synthesis method of N-p-toluenesulfonyl-2-substituted indole compound 浙江万里学院 2022-05-17 CN disclosed
CN-111285792-A 2-substituted indole compound and preparation method thereof 三峡大学 2020-06-16 CN disclosed
CN-104592086-B A kind of method that Benzazole compounds are prepared by mantoquita catalysis 台州学院 2017-06-06 CN disclosed
CN-104592086-A Method for preparing indole compound through copper salt catalysis UNIV TAIZHOU 2015-05-06 CN disclosed