Sugi Predict

Sugi Predict / Compounds / SCHEMBL30853260

SCHEMBL30853260

SCHEMBL30853260

C[N+](C)(C)c1ccc(-c2c3nc(c(-c4ccc([N+](C)(C)C)cc4)c4ccc([nH]4)c(-c4ccc([N+](C)(C)C)cc4)c4nc(c(-c5ccc([N+](C)(C)C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1.Cl[Fe-2](Cl)(Cl)(Cl)Cl.Cl[Fe-2](Cl)(Cl)(Cl)Cl

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TERT O14746 5/20 0.51
▸ TOP1 P11387 4/20 0.50
▸ CYCS P99999 3/20 0.49
▸ ENPP2 Q13822 1/20 0.48
▸ ABCG2 Q9UNQ0 1/20 0.45

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
SCHEMBL266547 0.94 TERT (0.57) TERTTOP1CYCSENPP2ABCG2
SCHEMBL17967720 0.92 TERT (0.55) TERTTOP1CYCSENPP2ABCG2
Bromide SCHEMBL4139455 0.92 TERT (0.55) TERTTOP1CYCSENPP2ABCG2
Hydrochloric Acid SCHEMBL29838107 0.92 TERT (0.55) TERTTOP1CYCSENPP2ABCG2
SCHEMBL29196451 0.92 TERT (0.55) TERTTOP1CYCSENPP2ABCG2
Hydrochloric Acid SCHEMBL3287053 0.92 TERT (0.55) TERTTOP1CYCSENPP2ABCG2
SCHEMBL29349689 0.92 TERT (0.59) TERTTOP1CYCSENPP2ABCG2
SCHEMBL4140450 0.88 TERT (0.51) TERTTOP1CYCSENPP2ABCG2
SCHEMBL5706257 0.88 TERT (0.51) TERTTOP1CYCSENPP2ABCG2
SCHEMBL18155364 0.85 TOP1 (0.64) TERTTOP1CYCSENPP2ABCG2

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-117926340-A Preparation method of amino-functionalized cobalt porphyrin/ketjen black carbon composite catalyst and application of amino-functionalized cobalt porphyrin/ketjen black carbon composite catalyst in multiphase carbon dioxide electrocatalytic reduction 东莞理工学院 2024-04-26 — — CN disclosed
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