SCHEMBL21410041

SCHEMBL21410041

CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc3c(cc1c2CN1CCN(C)CC1)OCO3

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 19/20 1.00
▸ SLC2A1 P11166 1/20 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
SCHEMBL31312371 1.00 TOP1 (1.00) TOP1SLC2A1DDX5
SCHEMBL21450469 1.00 TOP1 (1.00) TOP1SLC2A1DDX5
Lurtotecan SCHEMBL19208 0.95 TOP1 (1.00) TOP1SLC2A1
Lurtotecan SCHEMBL29774186 0.95 TOP1 (1.00) TOP1SLC2A1
Lurtotecan SCHEMBL13992 0.95 TOP1 (1.00) TOP1SLC2A1
Lurtotecan SCHEMBL1649335 0.95 TOP1 (0.98) TOP1SLC2A1
Lurtotecan SCHEMBL29379042 0.95 TOP1 (0.98) TOP1SLC2A1
Lurtotecan SCHEMBL1649336 0.94 TOP1 (0.97) TOP1SLC2A1
SCHEMBL25402218 0.93 TOP1 (0.87) TOP1SLC2A1
SCHEMBL23255613 0.93 TOP1 (0.87) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019189419-A1 ANTI-CANCER AGENT-BONDED ALGINIC ACID DERIVATIVE 持田製薬株式会社 2019-10-03 — — WO claimed
WO-2019189419-A1 ANTI-CANCER AGENT-BONDED ALGINIC ACID DERIVATIVE 持田製薬株式会社 2019-10-03 — — WO disclosed
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