SCHEMBL9501871

SCHEMBL9501871

O=C1c2cccc3cc([N+](=O)[O-])cc(c23)C(=O)N1CCCN1CCN(CCCN2C(=O)c3cccc4cc([N+](=O)[O-])cc(c34)C2=O)CC1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.79
KMT2A Q03164 3/20 0.79
PABPC1 P11940 2/20 0.79
KDM4E B2RXH2 2/20 0.79
POLB P06746 2/20 0.79
MAPT P10636 2/20 0.79
RECQL P46063 2/20 0.79
RAB9A P51151 2/20 0.79
S1PR1 P21453 1/20 0.79
HTT P42858 1/20 0.79
RAD52 P43351 1/20 0.79
PAX8 Q06710 1/20 0.79
FTO Q9C0B1 2/20 0.67
HTR1A P08908 3/20 0.60
CA12 O43570 3/20 0.60
CA1 P00915 3/20 0.60
CA2 P00918 3/20 0.60
CA9 Q16790 3/20 0.60
DRD2 P14416 2/20 0.60
HTR2A P28223 2/20 0.60

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
SCHEMBL11447428 0.96 PABPC1 (0.73) MEN1KMT2APABPC1KDM4EPOLB
SCHEMBL14557199 0.94 MEN1 (0.85) MEN1KMT2APABPC1KDM4EPOLB
SCHEMBL3857829 0.92 KDM4E (0.75) MEN1KMT2APABPC1KDM4EPOLB
Pinafide SCHEMBL18697 0.88 MEN1 (1.00) MEN1KMT2APABPC1KDM4EPOLB
SCHEMBL11552380 0.87 MEN1 (0.98) MEN1KMT2APABPC1KDM4EPOLB
SCHEMBL11441512 0.86 MEN1 (0.83) MEN1KMT2APABPC1KDM4EPOLB
SCHEMBL3857769 0.86 FTO (0.67) MEN1KMT2APABPC1KDM4EPOLB
SCHEMBL3861437 0.86 FTO (0.69) MEN1KMT2APABPC1KDM4EPOLB
SCHEMBL14560564 0.86 FTO (0.73) MEN1KMT2APABPC1KDM4EPOLB
SCHEMBL12502144 0.85 FTO (0.75) MEN1KMT2APABPC1KDM4EPOLB

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 3 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
EP-0281902-A1 Bis-naphthalimides, their preparation and use KNOLL AG (DE) 1988-09-14 EP disclosed