SCHEMBL8395669

SCHEMBL8395669

Cc1ccc2cccc3c2c1C(=O)N(CCNCCCNCCN1C(=O)c2cccc4ccc(C)c(c24)C1=O)C3=O

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 3/20 0.73
HEXA P06865 14/20 0.66
HEXB P07686 14/20 0.66
OGA O60502 2/20 0.66
CYP1B1 Q16678 1/20 0.48

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 SCHEMBL6256967 0.85 SIRT1 (1.00) SIRT1HEXAHEXBOGA
Elinafide SCHEMBL29441732 0.85 SIRT1 (1.00) SIRT1HEXAHEXBOGA
Elinafide SCHEMBL19067 0.85 SIRT1 (1.00) SIRT1HEXAHEXBOGA
SCHEMBL8393452 0.85 SIRT1 (0.73) SIRT1HEXAHEXBOGA
SCHEMBL8396162 0.82 SIRT1 (0.94) SIRT1HEXAHEXBOGA
SCHEMBL3290712 0.82 SIRT1 (0.86) SIRT1HEXAHEXBOGA
SCHEMBL14524900 0.82 SIRT1 (0.86) SIRT1HEXAHEXBOGA
SCHEMBL31011151 0.81 HEXA (1.00) SIRT1HEXAHEXBOGA
SCHEMBL4408773 0.81 HEXA (1.00) SIRT1HEXAHEXBOGA
Elinafide SCHEMBL1890262 0.81 SIRT1 (0.84) SIRT1HEXAHEXBOGA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5981753-A Bis-naphthalimides for the treatment of cancer BASF AKTIENGESELLSCHAFT (DE) 1999-11-09 US disclosed
EP-0714387-B1 NEW BIS-NAPHTHALIMIDES FOR THE TREATMENT OF CANCER BASF AG (DE) 1998-05-27 EP disclosed
US-5616589-A Bis-naphthalimides for the treatment of cancer BASF AKTIENGESELLSCHAFT (DE) 1997-04-01 US disclosed
EP-0714387-A1 NEW BIS-NAPHTHALIMIDES FOR THE TREATMENT OF CANCER BASF AKTIENGESELLSCHAFT (DE) 1996-06-05 EP disclosed
WO-1995005365-A1 NEW BIS-NAPHTHALIMIDES FOR THE TREATMENT OF CANCER BASF AKTIENGESELLSCHAFT (DE) 1995-02-23 WO disclosed