SCHEMBL8670977

SCHEMBL8670977

NCCC(N)CCN1C(=O)c2cccc3cc([N+](=O)[O-])cc(c23)C1=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 3/20 0.63
PABPC1 P11940 2/20 0.63
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
POLB P06746 3/20 0.62
MAPT P10636 2/20 0.62
KDM4E B2RXH2 1/20 0.62
S1PR1 P21453 1/20 0.62
HTT P42858 1/20 0.62
RAD52 P43351 1/20 0.62
RECQL P46063 1/20 0.62
RAB9A P51151 1/20 0.62
PAX8 Q06710 1/20 0.62
CA12 O43570 3/20 0.59
CA1 P00915 3/20 0.59
CA2 P00918 3/20 0.59
CA9 Q16790 3/20 0.59
LCK P06239 1/20 0.54
NTRK1 P04629 1/20 0.52
NGFR P08138 1/20 0.52

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
SCHEMBL2285573 0.87 FTO (0.72) FTOPABPC1MEN1KMT2APOLB
SCHEMBL8670974 0.87 FTO (0.65) FTOPABPC1MEN1KMT2APOLB
SCHEMBL8031989 0.83 HEXA (0.69) MEN1KMT2APOLBMAPTKDM4E
SCHEMBL8670307 0.83 CYP2D6 (0.61) FTOMEN1KMT2APOLBMAPT
SCHEMBL8668325 0.82 HEXA (0.53) FTOMEN1KMT2APOLBMAPT
SCHEMBL12660522 0.81 FTO (0.64) FTOPABPC1MEN1KMT2APOLB
Hydrochloric Acid SCHEMBL5747370 0.80 FTO (0.72) FTOPABPC1MEN1KMT2APOLB
SCHEMBL12660530 0.80 FTO (0.69) FTOPABPC1MEN1KMT2APOLB
SCHEMBL1893251 0.80 FTO (0.72) FTOPABPC1MEN1KMT2APOLB
SCHEMBL1901643 0.80 FTO (0.72) FTOPABPC1MEN1KMT2APOLB

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
US-5789418-A Bis-naphthalimides for the treatment of cancer BASF AKTIENGESELLSCHAFT (DE) 1998-08-04 US disclosed