SCHEMBL8670307

SCHEMBL8670307

NCCC(N)CCN1C(=O)c2cccc3cc(N)cc(c23)C1=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.61
FTO Q9C0B1 1/20 0.61
MEN1 O00255 2/20 0.60
POLB P06746 2/20 0.60
KMT2A Q03164 2/20 0.60
NPSR1 Q6W5P4 2/20 0.60
MAPT P10636 2/20 0.60
RAB9A P51151 2/20 0.60
AHR P35869 1/20 0.60
RECQL P46063 1/20 0.60
CYP1A2 P05177 1/20 0.59
TNNI3 P19429 1/20 0.59
MAPK1 P28482 1/20 0.59
STAT6 P42226 1/20 0.59
TNNT2 P45379 1/20 0.59
TNNC1 P63316 1/20 0.59
MPO P05164 1/20 0.56
HEXA P06865 6/20 0.55
HEXB P07686 6/20 0.55
LCK P06239 2/20 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
SCHEMBL8031989 0.88 HEXA (0.69) MEN1POLBKMT2ANPSR1MAPT
SCHEMBL8668325 0.87 HEXA (0.53) CYP2D6FTOMEN1POLBKMT2A
SCHEMBL2365312 0.86 HEXA (0.74) CYP2D6FTOMEN1POLBKMT2A
SCHEMBL8670304 0.85 CYP2D6 (0.64) CYP2D6FTOMEN1POLBKMT2A
SCHEMBL8670977 0.83 FTO (0.63) CYP2D6FTOMEN1POLBKMT2A
SCHEMBL8671682 0.81 HEXA (0.71) MEN1POLBKMT2AMAPTRAB9A
SCHEMBL8668087 0.80 KLK7 (0.51) CYP2D6FTOMEN1POLBKMT2A
SCHEMBL9502888 0.78 HEXA (0.73) CYP2D6FTOMEN1POLBKMT2A
SCHEMBL9092319 0.77 SIRT1 (0.63) CYP2D6FTOMEN1POLBKMT2A
SCHEMBL8670400 0.77 HEXA (0.53) MEN1POLBKMT2AMAPTRAB9A

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