SCHEMBL9563389

SCHEMBL9563389

CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc3c(cc1c2CNC(=O)C(F)(F)F)OCO3

nearest known ligand 0.76

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 19/20 0.76
▸ SLC2A1 P11166 1/20 0.73

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
SCHEMBL26293227 0.91 TOP1 (0.81) TOP1SLC2A1
SCHEMBL23196106 0.90 TOP1 (0.80) TOP1SLC2A1
SCHEMBL21450328 0.90 TOP1 (0.79) TOP1SLC2A1
SCHEMBL9563443 0.89 TOP1 (0.75) TOP1SLC2A1
SCHEMBL21450505 0.89 TOP1 (0.78) TOP1SLC2A1
SCHEMBL21450516 0.89 TOP1 (0.85) TOP1SLC2A1
SCHEMBL21450330 0.88 TOP1 (0.83) TOP1SLC2A1
SCHEMBL23196407 0.88 TOP1 (0.75) TOP1SLC2A1
SCHEMBL21450507 0.88 TOP1 (0.75) TOP1SLC2A1
Trifluoroacetic Acid SCHEMBL9563400 0.88 TOP1 (0.81) TOP1SLC2A1

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 disclosed
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