SCHEMBL9500513

SCHEMBL9500513

Nc1cc2c3c(cccc3c1)C(=O)N(CCCNCCCCNCCCN1C(=O)c3cccc4cc(N)cc(c34)C1=O)C2=O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 3/20 0.71
CYP2D6 P10635 1/20 0.64
FTO Q9C0B1 1/20 0.64
MEN1 O00255 2/20 0.62
POLB P06746 2/20 0.62
KMT2A Q03164 2/20 0.62
NPSR1 Q6W5P4 2/20 0.62
MAPT P10636 1/20 0.62
AHR P35869 1/20 0.62
RECQL P46063 1/20 0.62
RAB9A P51151 1/20 0.62
CYP1A2 P05177 1/20 0.61
TNNI3 P19429 1/20 0.61
MAPK1 P28482 1/20 0.61
STAT6 P42226 1/20 0.61
TNNT2 P45379 1/20 0.61
TNNC1 P63316 1/20 0.61
HEXA P06865 6/20 0.59
HEXB P07686 6/20 0.59
OGA O60502 1/20 0.59

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
SCHEMBL10568369 0.99 SIRT1 (0.69) SIRT1CYP2D6FTOMEN1POLB
SCHEMBL9500472 0.97 SIRT1 (0.67) SIRT1CYP2D6FTOMEN1POLB
SCHEMBL9504104 0.96 SIRT1 (0.69) SIRT1CYP2D6FTOMEN1POLB
SCHEMBL9091823 0.95 SIRT1 (0.65) SIRT1CYP2D6FTOMEN1POLB
SCHEMBL9092319 0.94 SIRT1 (0.63) SIRT1CYP2D6FTOMEN1POLB
SCHEMBL8396164 0.92 SIRT1 (0.75) SIRT1CYP2D6FTOMEN1POLB
SCHEMBL9502888 0.91 HEXA (0.73) SIRT1CYP2D6FTOMEN1POLB
SCHEMBL9091598 0.90 SIRT1 (0.58) SIRT1CYP2D6FTOMEN1POLB
SCHEMBL13909963 0.86 SIRT1 (0.94) SIRT1MEN1POLBKMT2AAHR
Bnipspd SCHEMBL13909975 0.85 SIRT1 (0.91) SIRT1MEN1POLBKMT2AAHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0281902-B1 BIS-NAPHTHALIMIDES, THEIR PREPARATION AND USE KNOLL AG (DE) 1993-06-09 EP disclosed