SCHEMBL30100599

SCHEMBL30100599

Cc1ccc(S(=O)(=O)Nc2cc(C)ccc2C#Cc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.52
▸ CYP2C9 P11712 2/20 0.52
▸ CYP2C19 P33261 2/20 0.52
▸ USP2 O75604 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ POLB P06746 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ NOD2 Q9HC29 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ KEAP1 Q14145 1/20 0.52
▸ NFE2L2 Q16236 1/20 0.52
▸ CA2 P00918 4/20 0.52
▸ CA9 Q16790 4/20 0.52
▸ CA1 P00915 3/20 0.52
▸ CA4 P22748 2/20 0.52
▸ CA7 P43166 2/20 0.52
▸ CA12 O43570 2/20 0.51
▸ MCOLN3 Q8TDD5 1/20 0.51
▸ SLC16A3 O15427 3/20 0.51
▸ METAP2 P50579 1/20 0.49

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
SCHEMBL28929925 1.00 LMNA (0.52) LMNACYP2C9CYP2C19USP2ALDH1A1
SCHEMBL30083674 0.93 CA1 (0.56) LMNACYP2C9CYP2C19USP2ALDH1A1
SCHEMBL28369885 0.93 CA1 (0.56) LMNACYP2C9CYP2C19USP2ALDH1A1
SCHEMBL30083682 0.90 METAP2 (0.54) LMNACYP2C9CYP2C19USP2ALDH1A1
SCHEMBL28370053 0.90 METAP2 (0.54) LMNACYP2C9CYP2C19USP2ALDH1A1
SCHEMBL28929923 0.89 KEAP1 (0.56) LMNACYP2C9CYP2C19USP2ALDH1A1
SCHEMBL29624737 0.89 SLC16A3 (0.64) LMNACYP2C9CYP2C19USP2ALDH1A1
SCHEMBL28375872 0.89 SLC16A3 (0.64) LMNACYP2C9CYP2C19USP2ALDH1A1
SCHEMBL30100593 0.85 SLC16A3 (0.65) LMNACYP2C9CYP2C19USP2ALDH1A1
SCHEMBL28929932 0.85 SLC16A3 (0.65) LMNACYP2C9CYP2C19USP2ALDH1A1

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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