Sugi Predict

Sugi Predict / Compounds / SCHEMBL30417440

SCHEMBL30417440

SCHEMBL30417440

CCCN1C=CC(c2c3nc(c(C4=CCN(CCC)C=C4)c4ccc([nH]4)c(C4=CCN(CCC)C=C4)c4nc(c(C5=CCN(CCC)C=C5)c5ccc2[nH]5)C=C4)C=C3)=CC1.[Mn+3]

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TERT O14746 5/20 0.39
▸ TOP1 P11387 1/20 0.33
▸ CYCS P99999 2/20 0.32
▸ ENPP2 Q13822 1/20 0.32

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
SCHEMBL30417810 0.90 TERT (0.40) TERTTOP1CYCSENPP2
SCHEMBL15344556 0.89 TERT (0.36) TERTTOP1
SCHEMBL5900934 0.88 TERT (0.41) TERTTOP1CYCSENPP2
Hydrochloric Acid SCHEMBL8183377 0.87 TERT (0.40) TERTTOP1CYCSENPP2
SCHEMBL3089988 0.86 TERT (0.41) TERTTOP1CYCSENPP2
Hydrochloric Acid SCHEMBL8187817 0.85 TERT (0.40) TERTTOP1CYCSENPP2
SCHEMBL7587755 0.84 TERT (0.40) TERTTOP1CYCSENPP2
SCHEMBL7589352 0.83 TERT (0.40) TERTTOP1CYCSENPP2
SCHEMBL30417480 0.82 TERT (0.43) TERTTOP1CYCSENPP2
SCHEMBL29677253 0.81 TERT (0.44) TERTTOP1CYCSENPP2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12201649-B2 Pharmaceutical composition comprising oxidizable biphenol and manganese porphyrin, and method of using the same VILLANOVA UNIVERSITY (US) 2025-01-21 — — US disclosed
US-20230149451-A1 PHARMACEUTICAL COMPOSITION COMPRISING OXIDIZABLE BIPHENOL AND MANGANESE PORPHYRIN, AND METHOD OF USING THE SAME VILLANOVA UNIVERSITY (US) 2023-05-18 — — US disclosed