Sugi Predict

Sugi Predict / Compounds / SCHEMBL29015668

SCHEMBL29015668

SCHEMBL29015668

Oc1ccc(-c2c3nc(c(-c4ccc(Cl)cc4)c4ccc([nH]4)c(-c4ccc(Cl)cc4)c4nc(c(-c5ccc(Cl)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1.[Ni]

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 4/20 0.55
▸ CYCS P99999 3/20 0.54
▸ ENPP2 Q13822 1/20 0.52
▸ TERT O14746 4/20 0.49
▸ ABCG2 Q9UNQ0 1/20 0.46

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
SCHEMBL29403099 0.98 TOP1 (0.56) TOP1CYCSENPP2TERTABCG2
Zinc Ion SCHEMBL30277430 0.97 TOP1 (0.55) TOP1CYCSENPP2TERTABCG2
SCHEMBL30277385 0.97 TOP1 (0.55) TOP1CYCSENPP2TERTABCG2
SCHEMBL28378420 0.97 TOP1 (0.55) TOP1CYCSENPP2TERTABCG2
SCHEMBL30277508 0.97 TOP1 (0.55) TOP1CYCSENPP2TERTABCG2
SCHEMBL29015674 0.97 TOP1 (0.55) TOP1CYCSENPP2TERTABCG2
SCHEMBL30277483 0.97 TOP1 (0.55) TOP1CYCSENPP2TERTABCG2
SCHEMBL28505177 0.97 TOP1 (0.55) TOP1CYCSENPP2TERTABCG2
SCHEMBL28501679 0.97 TOP1 (0.55) TOP1CYCSENPP2TERTABCG2
SCHEMBL30277471 0.97 TOP1 (0.55) 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-112090449-B Bimetal central metalloporphyrin as well as preparation method and application thereof 浙江工业大学 2023-03-31 — — CN disclosed
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