SCHEMBL28254080

SCHEMBL28254080

O=C(O)c1ccc(-c2c3nc(c(-c4ccc(C(=O)O)cc4)c4ccc([nH]4)c(-c4ccc(C(=O)O)cc4)c4nc(c(-c5ccc(C(=O)O)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1.[H+].[Pd]

nearest known ligand 0.94

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 4/20 0.94
▸ CYCS P99999 4/20 0.91
▸ ENPP2 Q13822 1/20 0.56
▸ ABCG2 Q9UNQ0 1/20 0.52
▸ TERT O14746 3/20 0.49
▸ TTR P02766 1/20 0.44
▸ GRIK1 P39086 1/20 0.43
▸ GRIK2 Q13002 1/20 0.43
▸ GRIK3 Q13003 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ KMT2A Q03164 1/20 0.42

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
SCHEMBL29601244 0.98 TOP1 (0.97) TOP1CYCSENPP2ABCG2TERT
SCHEMBL3047596 0.98 TOP1 (0.97) TOP1CYCSENPP2ABCG2TERT
SCHEMBL709532 0.97 TOP1 (1.00) TOP1CYCSENPP2ABCG2TERT
SCHEMBL29354037 0.97 TOP1 (1.00) TOP1CYCSENPP2ABCG2TERT
SCHEMBL1497141 0.95 TOP1 (0.97) TOP1CYCSENPP2ABCG2TERT
SCHEMBL17183606 0.95 TOP1 (0.97) TOP1CYCSENPP2ABCG2TERT
Hydrochloric Acid SCHEMBL17002623 0.95 TOP1 (0.97) TOP1CYCSENPP2ABCG2TERT
SCHEMBL19640853 0.95 CYCS (1.00) TOP1CYCSENPP2ABCG2TERT
SCHEMBL31439152 0.95 TOP1 (0.97) TOP1CYCSENPP2ABCG2TERT
SCHEMBL31463636 0.95 TOP1 (0.97) TOP1CYCSENPP2ABCG2TERT

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
CN-109046457-B Porphyrin MOFs membrane, preparation method thereof and application thereof in electrocatalytic oxidation 河南大学 2021-03-12 — — CN disclosed
CN-109046457-A A kind of porphyrin MOFs film and preparation method thereof, the application in electrocatalytic oxidation 河南大学 2018-12-21 — — CN disclosed
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