SCHEMBL28512432

SCHEMBL28512432

COc1ccc(-n2cc(COc3ccc4c(CNCCn5ccc(=O)c(O)c5C)cc(=O)oc4c3)nn2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 13/20 0.51
▸ CA9 Q16790 13/20 0.51
▸ CA1 P00915 7/20 0.50
▸ TUBB4A P04350 1/20 0.50
▸ TUBB P07437 1/20 0.50
▸ TUBA3C P0DPH7 1/20 0.50
▸ TUBA1B P68363 1/20 0.50
▸ TUBA4A P68366 1/20 0.50
▸ TUBB4B P68371 1/20 0.50
▸ TUBB3 Q13509 1/20 0.50
▸ TUBB2A Q13885 1/20 0.50
▸ TUBB8 Q3ZCM7 1/20 0.50
▸ TUBA3E Q6PEY2 1/20 0.50
▸ TUBA1A Q71U36 1/20 0.50
▸ TUBA1C Q9BQE3 1/20 0.50
▸ TUBB6 Q9BUF5 1/20 0.50
▸ TUBB2B Q9BVA1 1/20 0.50
▸ TUBB1 Q9H4B7 1/20 0.50
▸ MAOB P27338 5/20 0.47
▸ CA2 P00918 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
SCHEMBL28507801 0.95 CA12 (0.52) CA12CA9CA1TUBB4ATUBB
SCHEMBL28515764 0.94 CA12 (0.57) CA12CA9CA1TUBB4ATUBB
SCHEMBL28521322 0.94 CA12 (0.51) CA12CA9CA1TUBB4ATUBB
SCHEMBL28521298 0.94 CA12 (0.55) CA12CA9CA1TUBB4ATUBB
SCHEMBL28507798 0.94 CA12 (0.53) CA12CA9CA1TUBB4ATUBB
SCHEMBL28521376 0.92 CA12 (0.50) CA12CA9CA1TUBB4ATUBB
SCHEMBL28512425 0.92 TUBB4A (0.49) CA12CA9CA1TUBB4ATUBB
SCHEMBL28509793 0.92 CA12 (0.49) CA12CA9CA1TUBB4ATUBB
SCHEMBL28519013 0.90 CA12 (0.50) CA12CA9CA1TUBB4ATUBB
SCHEMBL28907118 0.90 CA12 (0.56) CA12CA9CA1TUBB4ATUBB

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-109761964-B Coumarin-3-hydroxypyridine-4-one derivative, and preparation method and application thereof 浙江工业大学 2021-02-02 — — CN disclosed
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