SCHEMBL28929927

SCHEMBL28929927

Cc1ccc(S(=O)(=O)Nc2ccccc2C#Cc2cccc(C)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC16A3 O15427 7/20 0.55
▸ LMNA P02545 3/20 0.54
▸ CYP2C9 P11712 2/20 0.54
▸ CYP2C19 P33261 2/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ USP2 O75604 1/20 0.54
▸ POLB P06746 1/20 0.54
▸ MAPT P10636 1/20 0.54
▸ NOD2 Q9HC29 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ CA2 P00918 4/20 0.50
▸ CA9 Q16790 4/20 0.50
▸ CA1 P00915 3/20 0.50
▸ CA4 P22748 2/20 0.50
▸ CA7 P43166 2/20 0.50
▸ KEAP1 Q14145 1/20 0.50
▸ NFE2L2 Q16236 1/20 0.50
▸ CA12 O43570 2/20 0.49
▸ MCOLN3 Q8TDD5 1/20 0.49
▸ TSHR P16473 1/20 0.48

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
SCHEMBL30100612 1.00 SLC16A3 (0.55) SLC16A3LMNACYP2C9CYP2C19ALDH1A1
SCHEMBL29624737 0.89 SLC16A3 (0.64) SLC16A3LMNACYP2C9CYP2C19ALDH1A1
SCHEMBL28375872 0.89 SLC16A3 (0.64) SLC16A3LMNACYP2C9CYP2C19ALDH1A1
SCHEMBL30083680 0.89 SLC16A3 (0.52) SLC16A3LMNACYP2C9CYP2C19ALDH1A1
SCHEMBL28370377 0.89 SLC16A3 (0.52) SLC16A3LMNACYP2C9CYP2C19ALDH1A1
SCHEMBL30100593 0.88 SLC16A3 (0.65) SLC16A3LMNACYP2C9CYP2C19ALDH1A1
SCHEMBL28929932 0.88 SLC16A3 (0.65) SLC16A3LMNACYP2C9CYP2C19ALDH1A1
SCHEMBL28929925 0.84 LMNA (0.52) SLC16A3LMNACYP2C9CYP2C19ALDH1A1
SCHEMBL30100599 0.84 LMNA (0.52) SLC16A3LMNACYP2C9CYP2C19ALDH1A1
SCHEMBL28929923 0.84 KEAP1 (0.56) SLC16A3LMNACYP2C9CYP2C19ALDH1A1

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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