SCHEMBL30831234

SCHEMBL30831234

Oc1cc(O)cc(-c2c3nc(c(Br)c4ccc([nH]4)c(-c4cc(O)cc(O)c4)c4nc(c(Br)c5ccc2[nH]5)C=C4)C=C3)c1.[Zn]

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 4/20 0.46
▸ CYCS P99999 3/20 0.44
▸ ENPP2 Q13822 1/20 0.43
▸ TERT O14746 4/20 0.43
▸ ABCG2 Q9UNQ0 1/20 0.39

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
SCHEMBL29417362 0.89 TOP1 (0.54) TOP1CYCSENPP2TERTABCG2
SCHEMBL29441531 0.89 TOP1 (0.54) TOP1CYCSENPP2TERTABCG2
SCHEMBL1716166 0.89 TOP1 (0.54) TOP1CYCSENPP2TERTABCG2
SCHEMBL21976863 0.81 TERT (0.48) TOP1CYCSENPP2TERTABCG2
SCHEMBL5137028 0.80 TOP1 (0.53) TOP1CYCSENPP2TERTABCG2
SCHEMBL7261916 0.79 TOP1 (0.65) TOP1CYCSENPP2TERTABCG2
SCHEMBL15943807 0.78 TOP1 (0.54) TOP1CYCSENPP2TERTABCG2
SCHEMBL5011842 0.78 TOP1 (0.54) TOP1CYCSENPP2TERTABCG2
SCHEMBL5013770 0.77 TERT (0.44) TOP1CYCSENPP2TERTABCG2
SCHEMBL30831251 0.77 TERT (0.44) TOP1CYCSENPP2TERTABCG2

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-113831351-B Novel tetrapyrrole derivatives and application thereof 上海先辉医药科技有限公司 2024-05-03 — — CN disclosed
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