Sugi Predict

Sugi Predict / Compounds / SCHEMBL31337466

SCHEMBL31337466

SCHEMBL31337466

Nc1ccc(-c2c3nc(c(-c4ccc(N)cc4)c4ccc([nH]4)c(-c4ccc(N)cc4)c4nc(c(-c5ccc(N)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1.[Au]

nearest known ligand 0.79

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 4/20 0.79
▸ CYCS P99999 3/20 0.57
▸ TERT O14746 4/20 0.56
▸ ENPP2 Q13822 1/20 0.55
▸ ABCG2 Q9UNQ0 1/20 0.48
▸ STAT3 P40763 1/20 0.43
▸ STAT1 P42224 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
SCHEMBL3424111 0.98 TOP1 (0.81) TOP1CYCSTERTENPP2ABCG2
SCHEMBL31337507 0.96 TOP1 (0.79) TOP1CYCSTERTENPP2ABCG2
SCHEMBL31337498 0.96 TOP1 (0.79) TOP1CYCSTERTENPP2ABCG2
SCHEMBL31463631 0.96 TOP1 (0.79) TOP1CYCSTERTENPP2ABCG2
Hydrochloric Acid SCHEMBL8908213 0.96 TOP1 (0.79) TOP1CYCSTERTENPP2ABCG2
SCHEMBL31463635 0.96 TOP1 (0.79) TOP1CYCSTERTENPP2ABCG2
SCHEMBL3802533 0.96 TOP1 (0.79) TOP1CYCSTERTENPP2ABCG2
SCHEMBL16438041 0.96 TOP1 (0.79) TOP1CYCSTERTENPP2ABCG2
SCHEMBL31463633 0.96 TOP1 (0.79) TOP1CYCSTERTENPP2ABCG2
SCHEMBL31463626 0.96 TOP1 (0.79) 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-119552329-A Metal-doped three-dimensional covalent organic framework material, preparation method thereof, negative electrode with material and secondary battery with negative electrode 广东工业大学 2025-03-04 — — CN disclosed
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