SCHEMBL30083697

SCHEMBL30083697

COc1ccc(C#Cc2ccccc2NS(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC16A3 O15427 5/20 0.76
▸ KEAP1 Q14145 3/20 0.60
▸ STAT3 P40763 2/20 0.55
▸ SQSTM1 Q13501 1/20 0.54
▸ NFE2L2 Q16236 1/20 0.54
▸ FFAR4 Q5NUL3 2/20 0.54
▸ GAA P10253 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ LMNA P02545 3/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ L3MBTL1 Q9Y468 2/20 0.51
▸ USP2 O75604 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ NOD2 Q9HC29 1/20 0.51
▸ TP53 P04637 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ HTT P42858 1/20 0.50

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
SCHEMBL28374542 1.00 SLC16A3 (0.76) SLC16A3KEAP1STAT3SQSTM1NFE2L2
SCHEMBL30100593 0.91 SLC16A3 (0.65) SLC16A3KEAP1NFE2L2LMNAALDH1A1
SCHEMBL28929932 0.91 SLC16A3 (0.65) SLC16A3KEAP1NFE2L2LMNAALDH1A1
SCHEMBL29624737 0.87 SLC16A3 (0.64) SLC16A3KEAP1NFE2L2GAAKMT2A
SCHEMBL22134737 0.87 SLC16A3 (0.71) SLC16A3KEAP1NFE2L2LMNAALDH1A1
SCHEMBL28375872 0.87 SLC16A3 (0.64) SLC16A3KEAP1NFE2L2GAAKMT2A
SCHEMBL22134861 0.86 SLC16A3 (1.00) SLC16A3KEAP1STAT3
SCHEMBL30188099 0.86 SLC16A3 (1.00) SLC16A3KEAP1STAT3
SCHEMBL30100594 0.85 SLC16A3 (0.58) SLC16A3KEAP1NFE2L2KMT2ALMNA
SCHEMBL28929930 0.85 SLC16A3 (0.58) SLC16A3KEAP1NFE2L2KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115433170-A Synthetic method of indole carbon glycoside compound 江西师范大学 2022-12-06 — — 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
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