SCHEMBL9563406

SCHEMBL9563406

CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc3c(cc1c2C(C)N)OCO3

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 20/20 0.77
▸ DDX5 P17844 1/20 0.67

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
SCHEMBL21450334 0.94 TOP1 (0.79) TOP1DDX5
SCHEMBL21450337 0.92 TOP1 (0.77) TOP1DDX5
SCHEMBL21450571 0.88 TOP1 (0.82) TOP1DDX5
SCHEMBL24642764 0.88 TOP1 (0.83) TOP1DDX5
SCHEMBL29065855 0.88 TOP1 (0.82) TOP1DDX5
SCHEMBL21450475 0.87 TOP1 (0.85) TOP1
SCHEMBL29877390 0.87 TOP1 (0.87) TOP1
SCHEMBL7974625 0.87 TOP1 (0.77) TOP1
SCHEMBL21450485 0.87 TOP1 (0.87) TOP1
SCHEMBL9563391 0.87 TOP1 (0.87) TOP1

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
EP-0556585-A2 Condensed camptothecin derivatives their production and use as antitumor agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-08-25 — — EP claimed
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