SCHEMBL31055464

SCHEMBL31055464

C1=Cc2nc1c(-c1cccc3ccccc13)c1ccc([nH]1)c(-c1cccc3ccccc13)c1nc(c(-c3cccc4ccccc34)c3ccc([nH]3)c2-c2cccc3ccccc23)C=C1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 1/20 0.46
▸ ADK P55263 1/20 0.46
▸ TYMP P19971 1/20 0.43
▸ TERT O14746 2/20 0.41
▸ BCHE P06276 1/20 0.41
▸ TOP1 P11387 1/20 0.41
▸ DHFR P00374 1/20 0.41
▸ CYCS P99999 1/20 0.40
▸ NISCH Q9Y2I1 1/20 0.39

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
SCHEMBL31055465 1.00 GSK3B (0.46) GSK3BADKTYMPTERTBCHE
SCHEMBL31055466 1.00 GSK3B (0.46) GSK3BADKTYMPTERTBCHE
SCHEMBL4320743 1.00 GSK3B (0.46) GSK3BADKTYMPTERTBCHE
SCHEMBL17232299 0.87 GSK3B (0.40) GSK3BADKTYMPTERTDHFR
SCHEMBL30519860 0.87 TOP1 (0.48) TERTTOP1CYCS
SCHEMBL29055662 0.87 TOP1 (0.48) TERTTOP1CYCS
SCHEMBL30519881 0.86 STAT3 (0.56) GSK3BADKTYMPTERTBCHE
SCHEMBL10609096 0.85 TERT (0.39) TERTTOP1CYCS
SCHEMBL14893737 0.81 BCHE (0.47) BCHE
SCHEMBL11328879 0.80 STAT3 (0.56) GSK3BADKTYMPBCHEDHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118480346-A Fullerene C60-porphyrin eutectic structure compound and preparation method thereof 井冈山大学 2024-08-13 — — CN claimed
CN-118480346-A Fullerene C60-porphyrin eutectic structure compound and preparation method thereof 井冈山大学 2024-08-13 — — CN disclosed
CN-118480346-A Fullerene C60-porphyrin eutectic structure compound and preparation method thereof 井冈山大学 2024-08-13 — — CN disclosed
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