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Elinafide

Elinafide

SCHEMBL6256967

O=C1c2cccc3cccc(c23)C(=O)N1CCNCCCNCCN1C(=O)c2cccc3cccc(c23)C1=O.O=C1c2cccc3cccc(c23)C(=O)N1CCNCCCNCCN1C(=O)c2cccc3cccc(c23)C1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SIRT1 Q96EB6 3/20 1.00
▸ HEXA P06865 14/20 0.90
▸ HEXB P07686 14/20 0.90
▸ OGA O60502 1/20 0.90
▸ MEN1 O00255 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ NR1I2 O75469 1/20 0.57
▸ POLB P06746 1/20 0.57
▸ AHR P35869 1/20 0.57
▸ RAD52 P43351 1/20 0.57
▸ RCE1 Q9Y256 1/20 0.57

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
Elinafide SCHEMBL19067 1.00 SIRT1 (1.00) SIRT1HEXAHEXBOGAMEN1
Elinafide SCHEMBL29441732 1.00 SIRT1 (1.00) SIRT1HEXAHEXBOGAMEN1
SCHEMBL8396162 0.97 SIRT1 (0.94) SIRT1HEXAHEXBOGAMEN1
SCHEMBL31011151 0.95 HEXA (1.00) SIRT1HEXAHEXBOGA
SCHEMBL4408773 0.95 HEXA (1.00) SIRT1HEXAHEXBOGA
Bnipdpta SCHEMBL13909966 0.94 SIRT1 (0.88) SIRT1HEXAHEXBOGAMEN1
SCHEMBL13909979 0.94 SIRT1 (0.88) SIRT1HEXAHEXBOGAMEN1
SCHEMBL3290712 0.93 SIRT1 (0.86) SIRT1HEXAHEXBOGA
SCHEMBL14524900 0.93 SIRT1 (0.86) SIRT1HEXAHEXBOGANR1I2
Bnipspd SCHEMBL13909975 0.92 SIRT1 (0.91) SIRT1HEXAHEXBOGAMEN1

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-1572239-A1 METHOD OF USING A COX-2 INHIBITOR AND A TOPOISOMERASE II INHIBITOR AS A COMBINATION THERAPY IN THE TREATMENT OF NEOPLASIA Pharmacia Corporation (US) 2005-09-14 — — EP disclosed
WO-2004058302-A1 METHOD OF USING A COX-2 INHIBITOR AND A TOPOISOMERASE II INHIBITOR AS A COMBINATION THERAPY IN THE TREATMENT OF NEOPLASIA PHARMACIA CORPORATION (US) 2004-07-15 — — WO disclosed