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Sugi Predict / Compounds / SCHEMBL29399174

SCHEMBL29399174

SCHEMBL29399174

Nc1ccc(-c2c3nc(cc4cc(-c5ccc(N)cc5)c([nH]4)c(-c4ccc(N)cc4)c4nc(c(-c5ccc(N)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 4/20 0.54
▸ STAT3 P40763 1/20 0.47
▸ STAT1 P42224 1/20 0.47
▸ CYCS P99999 3/20 0.40
▸ ENPP2 Q13822 1/20 0.40
▸ TERT O14746 3/20 0.39
▸ ABCG2 Q9UNQ0 1/20 0.36

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
SCHEMBL27931179 0.96 STAT3 (0.55) TOP1STAT3STAT1CYCSENPP2
SCHEMBL27940870 0.90 STAT3 (0.63) TOP1STAT3STAT1CYCSENPP2
SCHEMBL28402436 0.89 STAT3 (0.59) TOP1STAT3STAT1CYCSENPP2
SCHEMBL28939046 0.89 STAT3 (0.62) TOP1STAT3STAT1CYCSENPP2
SCHEMBL28024655 0.88 STAT3 (0.62) TOP1STAT3STAT1CYCSENPP2
SCHEMBL29904993 0.88 STAT3 (0.62) TOP1STAT3STAT1CYCSENPP2
SCHEMBL27838897 0.87 STAT3 (0.61) TOP1STAT3STAT1CYCSENPP2
SCHEMBL27883624 0.87 STAT3 (0.61) TOP1STAT3STAT1CYCSENPP2
SCHEMBL29467136 0.85 STAT3 (0.54) TOP1STAT3STAT1CYCSENPP2
SCHEMBL18917420 0.85 STAT3 (0.54) TOP1STAT3STAT1CYCSENPP2

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-114166903-A Cadaverine sensor based on ion-conducting metal-organic framework compound film and preparation method thereof 同济大学 2022-03-11 — — CN claimed
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