SCHEMBL9504085

SCHEMBL9504085

O=C1c2cccc3c([N+](=O)[O-])ccc(c23)C(=O)N1CCCNCCCN1C(=O)c2cccc3c([N+](=O)[O-])ccc(c23)C1=O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 10/20 0.71
KMT2A Q03164 10/20 0.71
POLB P06746 7/20 0.71
NPSR1 Q6W5P4 6/20 0.71
CCR6 P51684 3/20 0.71
SMN1; SMN2 Q16637 3/20 0.71
LMNA P02545 3/20 0.71
ALDH1A1 P00352 2/20 0.71
PABPC1 P11940 2/20 0.71
HDAC3 O15379 1/20 0.67
HDAC1 Q13547 1/20 0.67
HDAC11 Q96DB2 1/20 0.67
HDAC8 Q9BY41 1/20 0.67
HDAC6 Q9UBN7 1/20 0.67
NCOR2 Q9Y618 1/20 0.67
RAB9A P51151 4/20 0.60
NPC1 O15118 4/20 0.60
OGA O60502 2/20 0.57
MAPT P10636 6/20 0.56
HTT P42858 5/20 0.56

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
SCHEMBL8395422 0.94 MEN1 (0.66) MEN1KMT2APOLBNPSR1CCR6
SCHEMBL14560563 0.86 MEN1 (0.76) MEN1KMT2APOLBNPSR1CCR6
SCHEMBL4100333 0.84 MEN1 (0.73) MEN1KMT2APOLBNPSR1CCR6
SCHEMBL29903439 0.83 MEN1 (0.68) MEN1KMT2APOLBNPSR1CCR6
SCHEMBL10261656 0.83 MEN1 (0.68) MEN1KMT2APOLBNPSR1CCR6
SCHEMBL14067864 0.83 MEN1 (0.68) MEN1KMT2APOLBNPSR1CCR6
SCHEMBL3860123 0.83 HDAC1 (0.71) MEN1KMT2APOLBNPSR1CCR6
SCHEMBL16213194 0.83 MEN1 (1.00) MEN1KMT2APOLBNPSR1CCR6
SCHEMBL12660214 0.82 MEN1 (0.61) MEN1KMT2APOLBNPSR1CCR6
SCHEMBL5114261 0.82 HDAC3 (0.77) MEN1KMT2APOLBNPSR1CCR6

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-0281902-B1 BIS-NAPHTHALIMIDES, THEIR PREPARATION AND USE KNOLL AG (DE) 1993-06-09 EP disclosed
US-4874863-A Bisnaphthalimides KNOLL AG (DE) 1989-10-17 US disclosed