SCHEMBL21593898

SCHEMBL21593898

CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc3c(cc1c2Br)OCO3

nearest known ligand 0.81

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 20/20 0.81
▸ DDX5 P17844 1/20 0.71

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
SCHEMBL24642764 0.92 TOP1 (0.83) TOP1DDX5
SCHEMBL29065855 0.90 TOP1 (0.82) TOP1DDX5
SCHEMBL21450571 0.90 TOP1 (0.82) TOP1DDX5
SCHEMBL21450329 0.90 TOP1 (0.87) TOP1
SCHEMBL15711952 0.90 TOP1 (1.00) TOP1
SCHEMBL21450568 0.89 TOP1 (0.80) TOP1DDX5
SCHEMBL21450459 0.89 TOP1 (0.89) TOP1
SCHEMBL9563446 0.89 TOP1 (0.89) TOP1
SCHEMBL23235265 0.88 TOP1 (1.00) TOP1
SCHEMBL21450485 0.88 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110590796-B Camptothecin derivative and preparation method and application thereof 青岛海洋生物医药研究院股份有限公司 2022-07-15 — — CN disclosed
CN-110590796-A Camptothecin derivative and preparation method and application thereof 青岛海洋生物医药研究院股份有限公司 2019-12-20 — — CN disclosed
WO-2019238046-A1 CAMPTOTHECIN DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 青岛海洋生物医药研究院股份有限公司 2019-12-19 — — WO disclosed
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