SCHEMBL28929936

SCHEMBL28929936

Cc1ccc(S(=O)(=O)Nc2ccc(Br)cc2C#Cc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ METAP2 P50579 2/20 0.57
▸ KEAP1 Q14145 1/20 0.51
▸ NFE2L2 Q16236 1/20 0.51
▸ LMNA P02545 4/20 0.50
▸ ALDH1A1 P00352 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ CYP2C9 P11712 2/20 0.48
▸ CYP2C19 P33261 2/20 0.48
▸ USP2 O75604 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ NOD2 Q9HC29 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ SLC16A3 O15427 3/20 0.47
▸ CA2 P00918 3/20 0.47
▸ CA9 Q16790 3/20 0.47
▸ CA12 O43570 2/20 0.47
▸ MCOLN3 Q8TDD5 1/20 0.47
▸ CA1 P00915 2/20 0.47
▸ HTT P42858 2/20 0.46
▸ MEN1 O00255 1/20 0.46

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
SCHEMBL28370053 0.90 METAP2 (0.54) METAP2KEAP1NFE2L2LMNAALDH1A1
SCHEMBL30083682 0.90 METAP2 (0.54) METAP2KEAP1NFE2L2LMNAALDH1A1
SCHEMBL28929923 0.90 KEAP1 (0.56) METAP2KEAP1NFE2L2LMNAALDH1A1
SCHEMBL28370369 0.85 KEAP1 (0.51) METAP2KEAP1NFE2L2LMNAALDH1A1
SCHEMBL28929922 0.85 LMNA (0.58) METAP2KEAP1NFE2L2LMNAALDH1A1
SCHEMBL28370447 0.85 SLC16A3 (0.58) METAP2KEAP1NFE2L2LMNAALDH1A1
SCHEMBL30083699 0.85 SLC16A3 (0.58) METAP2KEAP1NFE2L2LMNAALDH1A1
SCHEMBL29624737 0.84 SLC16A3 (0.64) KEAP1NFE2L2LMNAALDH1A1MAPT
SCHEMBL28375872 0.84 SLC16A3 (0.64) KEAP1NFE2L2LMNAALDH1A1MAPT
SCHEMBL23357791 0.83 METAP2 (0.46) METAP2KEAP1NFE2L2LMNAALDH1A1

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