Sugi Predict

Sugi Predict / Compounds / SCHEMBL9403044

SCHEMBL9403044

SCHEMBL9403044

O=C([O-])c1c2nc(c(C(=O)[O-])c3ccc([nH]3)c(C(=O)[O-])c3nc(c(C(=O)[O-])c4ccc1[nH]4)C=C3)C=C2.[Ni+2].[Ni+2]

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 4/20 0.44
▸ CYCS P99999 3/20 0.42
▸ ENPP2 Q13822 1/20 0.41
▸ ABCG2 Q9UNQ0 1/20 0.39
▸ TERT O14746 2/20 0.34

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
SCHEMBL9402971 0.96 TOP1 (0.44) TOP1CYCSENPP2ABCG2TERT
SCHEMBL9402768 0.96 TOP1 (0.44) TOP1CYCSENPP2ABCG2TERT
SCHEMBL9402826 0.96 TOP1 (0.44) TOP1CYCSENPP2ABCG2TERT
SCHEMBL2049122 0.80 TOP1 (0.54) TOP1CYCSENPP2ABCG2TERT
SCHEMBL31036832 0.78 TOP1 (0.53) TOP1CYCSENPP2ABCG2TERT
SCHEMBL31620280 0.78 TOP1 (0.53) TOP1CYCSENPP2ABCG2TERT
SCHEMBL5132085 0.78 TOP1 (0.45) TOP1CYCSENPP2ABCG2TERT
SCHEMBL31620284 0.78 TOP1 (0.53) TOP1CYCSENPP2ABCG2TERT
SCHEMBL31036831 0.78 TOP1 (0.53) TOP1CYCSENPP2ABCG2TERT
SCHEMBL31620281 0.78 TOP1 (0.53) TOP1CYCSENPP2ABCG2TERT

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-5346984-A Mixing aromatic compound with molten nylon monnomer and polymerizing; low melt viscosity; injection molding to films KABUSHIKI KAISHA TOYOTA CHUO KENKYUSHO (JP) 1994-09-13 — — US claimed
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