SCHEMBL14065448

SCHEMBL14065448

C=C1OCc2c(cc3n(c2=O)Cc2cc4ccccc4nc2-3)[C@]1(O)CC

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 18/20 0.83
▸ ALDH1A1 P00352 4/20 0.83
▸ MEN1 O00255 4/20 0.83
▸ KMT2A Q03164 4/20 0.83
▸ SMN1; SMN2 Q16637 4/20 0.83
▸ KDM4E B2RXH2 3/20 0.83
▸ GLA P06280 3/20 0.83
▸ TP53 P04637 2/20 0.83
▸ HPGD P15428 2/20 0.83
▸ CYP3A4 P08684 2/20 0.83
▸ HBB P68871 2/20 0.83
▸ STAT6 P42226 1/20 0.83
▸ CHEK1 O14757 1/20 0.83
▸ HDAC3 O15379 1/20 0.83
▸ ABCC4 O15439 1/20 0.83
▸ GMNN O75496 1/20 0.83
▸ LMNA P02545 1/20 0.83
▸ CYP1A2 P05177 1/20 0.83
▸ HNRNPA1 P09651 1/20 0.83
▸ GAA P10253 1/20 0.83

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
SCHEMBL10298065 1.00 TOP1 (0.83) TOP1ALDH1A1MEN1KMT2ASMN1; SMN2
Camptothecin SCHEMBL29351099 0.91 TOP1 (1.00) TOP1ALDH1A1MEN1KMT2ASMN1; SMN2
Camptothecin SCHEMBL29360250 0.91 TOP1 (1.00) TOP1ALDH1A1MEN1KMT2ASMN1; SMN2
Camptothecin SCHEMBL28057307 0.91 TOP1 (1.00) TOP1ALDH1A1MEN1KMT2ASMN1; SMN2
Camptothecin SCHEMBL29369924 0.91 TOP1 (1.00) TOP1ALDH1A1MEN1KMT2ASMN1; SMN2
Camptothecin SCHEMBL6038 0.91 TOP1 (1.00) TOP1ALDH1A1MEN1KMT2ASMN1; SMN2
Camptothecin SCHEMBL2298909 0.91 TOP1 (1.00) TOP1ALDH1A1MEN1KMT2ASMN1; SMN2
Camptothecin SCHEMBL4304557 0.91 TOP1 (1.00) TOP1ALDH1A1MEN1KMT2ASMN1; SMN2
Camptothecin SCHEMBL788063 0.91 TOP1 (1.00) TOP1ALDH1A1MEN1KMT2ASMN1; SMN2
Camptothecin SCHEMBL17112859 0.90 TOP1 (0.98) TOP1ALDH1A1MEN1KMT2ASMN1; SMN2

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
US-7423152-B2 Process for the manufacture of intermediates in camptothecin production HOFFMAN-LA ROCHE INC. (US) 2008-09-09 — — US disclosed
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