SCHEMBL10724808

SCHEMBL10724808

O=C(O)CCCCC[n+]1ccc(-c2c3nc(c(-c4ccncc4)c4ccc([nH]4)c(-c4ccncc4)c4nc(c(-c5ccncc5)c5ccc2[nH]5)C=C4)C=C3)cc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TERT O14746 5/20 0.58
▸ TOP1 P11387 4/20 0.48
▸ CYCS P99999 4/20 0.46
▸ ENPP2 Q13822 1/20 0.40
▸ ABCG2 Q9UNQ0 1/20 0.38
▸ HDAC3 O15379 1/20 0.36
▸ PTK2 Q05397 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 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
Bromide SCHEMBL10896967 0.99 TERT (0.57) TERTTOP1CYCSENPP2ABCG2
Hydrochloric Acid SCHEMBL19718144 0.99 TERT (0.59) TERTTOP1CYCSENPP2ABCG2
SCHEMBL10751331 0.91 TERT (0.63) TERTTOP1CYCSENPP2ABCG2
Bromide SCHEMBL10896267 0.90 TERT (0.62) TERTTOP1CYCSENPP2ABCG2
SCHEMBL10729176 0.89 TERT (0.61) TERTTOP1CYCSENPP2ABCG2
Bromide SCHEMBL10724907 0.87 TERT (0.58) TERTTOP1CYCSENPP2ABCG2
Bromide SCHEMBL19718098 0.86 TERT (0.55) TERTTOP1CYCSENPP2ABCG2
SCHEMBL10726817 0.85 TERT (0.61) TERTTOP1CYCSENPP2ABCG2
Iodide SCHEMBL10896392 0.84 TERT (0.60) TERTTOP1CYCSENPP2ABCG2
SCHEMBL19718120 0.83 TERT (0.74) TERTTOP1CYCSENPP2ABCG2

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 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
Send feedback