SCHEMBL28417540

SCHEMBL28417540

N#Cc1ccc(CCc2cnccc2SCC(=O)O)c2ccccc12

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SLC22A12 Q96S37 20/20 0.70
▸ SLC22A6 Q4U2R8 2/20 0.50
▸ SLC2A9 Q9NRM0 1/20 0.50
▸ ABCG2 Q9UNQ0 1/20 0.50
▸ SLC22A11 Q9NSA0 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
SCHEMBL21350889 0.91 SLC22A12 (0.70) SLC22A12SLC22A6SLC2A9ABCG2SLC22A11
SCHEMBL28417529 0.84 SLC22A12 (0.48) SLC22A12
SCHEMBL28418714 0.83 SLC22A12 (0.57) SLC22A12SLC22A6SLC2A9ABCG2SLC22A11
SCHEMBL12070811 0.82 SLC22A12 (1.00) SLC22A12SLC22A6ABCG2SLC22A11
SCHEMBL12070755 0.80 SLC22A12 (0.82) SLC22A12SLC22A6ABCG2SLC22A11
SCHEMBL28408876 0.80 SLC22A12 (0.59) SLC22A12SLC22A11
SCHEMBL28411824 0.78 SLC22A12 (0.45) SLC22A12
SCHEMBL21350521 0.78 SLC22A12 (0.62) SLC22A12SLC22A6SLC2A9ABCG2SLC22A11
SCHEMBL28417543 0.77 SLC22A12 (0.66) SLC22A12SLC22A6ABCG2SLC22A11
SCHEMBL21350744 0.75 SLC22A12 (0.51) SLC22A12

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-108440397-B 3- (naphthalene-1-methyl substituted) pyridine derivative and synthesis method and application thereof 南方医科大学 2020-06-05 — — CN disclosed
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