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Sugi Predict / Compounds / SCHEMBL27949267

SCHEMBL27949267

SCHEMBL27949267

CC(C)(C)c1ccc(-c2c3nc(c(-c4ccc(C(C)(C)C)cc4)c4ccc([nH]4)c(-c4ccc(C(C)(C)C)cc4)c4nc(c(-c5ccc(C(C)(C)C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1.[Cu]

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TERT O14746 5/20 0.55
▸ TOP1 P11387 4/20 0.54
▸ CYCS P99999 3/20 0.53
▸ ENPP2 Q13822 1/20 0.51
▸ ABCG2 Q9UNQ0 1/20 0.48
▸ HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL1971674 0.98 TERT (0.57) TERTTOP1CYCSENPP2ABCG2
SCHEMBL16978932 0.92 TOP1 (0.54) TERTTOP1CYCSENPP2ABCG2
SCHEMBL16978922 0.92 TOP1 (0.54) TERTTOP1CYCSENPP2ABCG2
SCHEMBL25703764 0.92 TOP1 (0.54) TERTTOP1CYCSENPP2ABCG2
SCHEMBL16851273 0.91 TERT (0.50) TERTTOP1CYCSENPP2ABCG2
SCHEMBL17232297 0.87 TERT (0.47) TERTTOP1CYCSENPP2ABCG2
SCHEMBL6886252 0.87 TERT (0.47) TERTTOP1CYCSENPP2ABCG2
SCHEMBL5011966 0.86 TERT (0.46) TERTTOP1CYCSENPP2ABCG2
SCHEMBL28152414 0.86 TOP1 (0.79) TERTTOP1CYCSENPP2ABCG2
SCHEMBL6882660 0.84 TERT (0.44) 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-102617833-B Quinoxaline porphyrin unit based conjugated polymer as well as preparation method and application thereof UNIV BEIJING CHEMICAL 2014-01-22 — — CN disclosed
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