SCHEMBL10729176

SCHEMBL10729176

C[n+]1ccc(-c2c3nc(c(-c4cc[n+](C)cc4)c4ccc([nH]4)c(-c4cc[n+](CCCCCC(=O)O)cc4)c4nc(c(-c5cc[n+](C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TERT O14746 6/20 0.61
▸ TOP1 P11387 4/20 0.47
▸ CYCS P99999 4/20 0.46
▸ ABCG2 Q9UNQ0 1/20 0.41
▸ ENPP2 Q13822 1/20 0.40

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
Bromide SCHEMBL10724907 0.98 TERT (0.58) TERTTOP1CYCSABCG2ENPP2
SCHEMBL10724268 0.91 TERT (0.67) TERTTOP1CYCSABCG2ENPP2
Bromide SCHEMBL10894063 0.90 TERT (0.65) TERTTOP1CYCSABCG2ENPP2
SCHEMBL10724808 0.89 TERT (0.58) TERTTOP1CYCSABCG2ENPP2
Bromide SCHEMBL10730446 0.89 TERT (0.64) TERTTOP1CYCSABCG2ENPP2
Bromide SCHEMBL10896967 0.88 TERT (0.57) TERTTOP1CYCSABCG2ENPP2
Hydrochloric Acid SCHEMBL19718144 0.88 TERT (0.59) TERTTOP1CYCSABCG2ENPP2
SCHEMBL10724093 0.85 TERT (0.68) TERTTOP1CYCSABCG2ENPP2
Iodide SCHEMBL10724109 0.84 TERT (0.67) TERTTOP1CYCSABCG2ENPP2
SCHEMBL10751331 0.79 TERT (0.63) TERTTOP1CYCSABCG2ENPP2

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
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
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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