SCHEMBL10726864

SCHEMBL10726864

O=C(O)COc1ccc(-c2c3nc(c(-c4ccc(S(=O)(=O)O)cc4)c4ccc([nH]4)c(-c4ccc(S(=O)(=O)O)cc4)c4nc(c(-c5ccc(S(=O)(=O)O)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 1/20 0.69
▸ TOP1 P11387 4/20 0.51
▸ CYCS P99999 4/20 0.50
▸ ALDH1A1 P00352 1/20 0.47
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ ABCG2 Q9UNQ0 1/20 0.44
▸ TERT O14746 2/20 0.42
▸ PDE2A O00408 1/20 0.39
▸ PDE3B Q13370 1/20 0.39
▸ PDE3A Q14432 1/20 0.39
▸ P2RY12 Q9H244 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
SCHEMBL3794157 0.91 TOP1 (0.61) ENPP2TOP1CYCSMEN1KMT2A
SCHEMBL29558419 0.91 TOP1 (0.61) ENPP2TOP1CYCSMEN1KMT2A
SCHEMBL10730297 0.87 MEN1 (0.57) ENPP2TOP1CYCSMEN1KMT2A
SCHEMBL218702 0.84 ENPP2 (0.97) ENPP2TOP1CYCSABCG2TERT
SCHEMBL29368142 0.84 ENPP2 (0.97) ENPP2TOP1CYCSABCG2TERT
Water SCHEMBL23522817 0.83 ENPP2 (0.94) ENPP2TOP1CYCSABCG2TERT
Ammonia Solution, Strong SCHEMBL3001889 0.83 ENPP2 (0.94) ENPP2TOP1CYCSABCG2TERT
Tetraphenylporphine Tetrasulfonic Acid SCHEMBL20456165 0.83 ENPP2 (1.00) ENPP2TOP1CYCSABCG2TERT
SCHEMBL17768419 0.83 ENPP2 (0.94) ENPP2TOP1CYCSABCG2TERT
SCHEMBL16336184 0.83 ENPP2 (0.94) ENPP2TOP1CYCSABCG2TERT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0127797-B1 LABELLED MOLECULES FOR FLUORESCENCE IMMUNOASSAYS AND PROCESSES AND INTERMEDIATES FOR THEIR PREPARATION F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1987-06-16 — — EP claimed
US-4614723-A Porphyrin derivatives as fluorescent markers for immunoassays HOFFMANN-LA ROCHE INC. (US) 1986-09-30 — — US claimed
EP-0127797-A1 Labelled molecules for fluorescence immunoassays and processes and intermediates for their preparation F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1984-12-12 — — EP claimed
EP-0127797-B1 LABELLED MOLECULES FOR FLUORESCENCE IMMUNOASSAYS AND PROCESSES AND INTERMEDIATES FOR THEIR PREPARATION F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1987-06-16 — — EP disclosed
US-4614723-A Porphyrin derivatives as fluorescent markers for immunoassays HOFFMANN-LA ROCHE INC. (US) 1986-09-30 — — US disclosed
EP-0127797-A1 Labelled molecules for fluorescence immunoassays and processes and intermediates for their preparation F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1984-12-12 — — EP disclosed
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