Rs-9-Aminocamptothecin

Rs-9-Aminocamptothecin

SCHEMBL27705522

CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(N)cccc3nc2-1.CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1

nearest known ligand 0.92

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

TOP1

The experimentally established mechanism targets of Rs-9-Aminocamptothecin. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 known ✓ P11387 18/20 0.92
▸ KDM4E B2RXH2 3/20 0.92
▸ RAB9A P51151 2/20 0.92
▸ BLM P54132 2/20 0.92
▸ RECQL P46063 2/20 0.92
▸ TDP1 Q9NUW8 2/20 0.92
▸ POLB P06746 1/20 0.92
▸ MAPT P10636 1/20 0.92
▸ ALDH1A1 P00352 3/20 0.84
▸ GLA P06280 3/20 0.84
▸ TP53 P04637 2/20 0.84
▸ HPGD P15428 2/20 0.84
▸ MEN1 O00255 2/20 0.84
▸ KMT2A Q03164 2/20 0.84
▸ SMN1; SMN2 Q16637 2/20 0.84
▸ ABCC4 O15439 2/20 0.84
▸ HTT P42858 2/20 0.84
▸ STAT6 P42226 1/20 0.84
▸ CHEK1 O14757 1/20 0.84
▸ HDAC3 O15379 1/20 0.84

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
Rs-9-Aminocamptothecin SCHEMBL8715088 0.96 TOP1 (1.00) TOP1KDM4ERAB9ABLMRECQL
9-Aminocamptothecin SCHEMBL29369669 0.96 TOP1 (1.00) TOP1KDM4ERAB9ABLMRECQL
9-Aminocamptothecin SCHEMBL26578 0.96 TOP1 (1.00) TOP1KDM4ERAB9ABLMRECQL
Camptothecin SCHEMBL29360250 0.92 TOP1 (1.00) TOP1KDM4ERAB9ABLMRECQL
Camptothecin SCHEMBL6038 0.92 TOP1 (1.00) TOP1KDM4ERAB9ABLMRECQL
Camptothecin SCHEMBL29369924 0.92 TOP1 (1.00) TOP1KDM4ERAB9ABLMRECQL
Camptothecin SCHEMBL788063 0.92 TOP1 (1.00) TOP1KDM4ERAB9ABLMRECQL
Camptothecin SCHEMBL29351099 0.92 TOP1 (1.00) TOP1KDM4ERAB9ABLMRECQL
Camptothecin SCHEMBL4304557 0.92 TOP1 (1.00) TOP1KDM4ERAB9ABLMRECQL
Camptothecin SCHEMBL2298909 0.92 TOP1 (1.00) TOP1KDM4ERAB9ABLMRECQL

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-101083995-A Cancer treatment method SMITHKLINE BEECHAM CORK LTD (IE) 2007-12-05 — — CN disclosed
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