Sugi Predict

Sugi Predict / Compounds / SCHEMBL28474117

SCHEMBL28474117

SCHEMBL28474117

N#Cc1ccc(-c2c3nc(c(-c4ccc(C#N)cc4)c4ccc([nH]4)c(-c4ccc(C#N)cc4)c4nc(c(-c5ccc(C#N)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1.[Mn]

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 4/20 0.54
▸ CYCS P99999 3/20 0.53
▸ TERT O14746 4/20 0.51
▸ ENPP2 Q13822 1/20 0.51
▸ ABCG2 Q9UNQ0 1/20 0.45
▸ STAT3 P40763 1/20 0.40
▸ STAT1 P42224 1/20 0.40

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
SCHEMBL29777544 0.98 TOP1 (0.55) TOP1CYCSTERTENPP2ABCG2
SCHEMBL6513665 0.98 TOP1 (0.55) TOP1CYCSTERTENPP2ABCG2
SCHEMBL29437849 0.97 TOP1 (0.54) TOP1CYCSTERTENPP2ABCG2
SCHEMBL28508880 0.97 TOP1 (0.54) TOP1CYCSTERTENPP2ABCG2
SCHEMBL28346165 0.97 TOP1 (0.54) TOP1CYCSTERTENPP2ABCG2
SCHEMBL28494122 0.97 TOP1 (0.54) TOP1CYCSTERTENPP2ABCG2
SCHEMBL28759678 0.92 TOP1 (0.54) TOP1CYCSTERTENPP2STAT3
SCHEMBL10075062 0.87 ABCG2 (0.47) TOP1CYCSTERTENPP2ABCG2
SCHEMBL1674104 0.81 TOP1 (0.55) TOP1CYCSTERTENPP2ABCG2
SCHEMBL29683952 0.81 TOP1 (0.55) TOP1CYCSTERTENPP2ABCG2

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-111675599-A Method for catalyzing and oxidizing aromatic benzyl tertiary C-H bond into tertiary alcohol by metalloporphyrin 浙江工业大学 2020-09-18 — — CN disclosed
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