Sugi Predict

Sugi Predict / Compounds / SCHEMBL21257046

SCHEMBL21257046

SCHEMBL21257046

O=Cc1ccc(-c2nnc(-c3ccc(-c4c5nc(c(-c6ccc(-c7nnc(-c8ccc(C=O)cc8)nn7)cc6)c6ccc([nH]6)c(-c6ccc(-c7nnc(-c8ccc(C=O)cc8)nn7)cc6)c6nc(c(-c7ccc(-c8nnc(-c9ccc(C=O)cc9)nn8)cc7)c7ccc4[nH]7)C=C6)C=C5)cc3)nn2)cc1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 4/20 0.56
▸ CYCS P99999 3/20 0.55
▸ ENPP2 Q13822 1/20 0.50
▸ TERT O14746 5/20 0.47
▸ ABCG2 Q9UNQ0 1/20 0.44

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
SCHEMBL29477148 0.92 TOP1 (0.59) TOP1CYCSENPP2TERTABCG2
SCHEMBL3476593 0.92 TOP1 (0.59) TOP1CYCSENPP2TERTABCG2
SCHEMBL22722458 0.89 TOP1 (0.52) TOP1CYCSENPP2TERTABCG2
SCHEMBL29141456 0.87 TOP1 (0.57) TOP1CYCSENPP2TERTABCG2
SCHEMBL28629714 0.87 TOP1 (0.57) TOP1CYCSENPP2TERTABCG2
SCHEMBL28134548 0.87 TOP1 (0.57) TOP1CYCSENPP2TERTABCG2
SCHEMBL30022815 0.87 TOP1 (0.57) TOP1CYCSENPP2TERTABCG2
SCHEMBL3290035 0.85 TERT (0.53) TOP1CYCSENPP2TERTABCG2
SCHEMBL19230051 0.85 TOP1 (0.81) TOP1CYCSENPP2TERTABCG2
SCHEMBL87873 0.84 TOP1 (0.51) TOP1CYCSENPP2TERTABCG2

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
US-20190247839-A1 MODIFIED POROUS ORGANIC FRAMEWORK AND MANUFACTURING METHOD THEREOF, POROUS ORGANIC FRAMEWORK COMPOSITE AND MANUFACTURING METHOD THEREOF CHUNG YUAN CHRISTIAN UNIVERSITY (TW) 2019-08-15 — — US disclosed
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