SCHEMBL8671682

SCHEMBL8671682

NCCCC(N)CCN1C(=O)c2cccc3cccc(c23)C1=O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HEXA P06865 6/20 0.71
HEXB P07686 6/20 0.71
LCK P06239 1/20 0.60
OGA O60502 1/20 0.52
SIRT1 Q96EB6 3/20 0.52
KMT2A Q03164 2/20 0.51
POLB P06746 2/20 0.51
MEN1 O00255 1/20 0.51
NR1I2 O75469 1/20 0.51
AHR P35869 1/20 0.51
RAD52 P43351 1/20 0.51
RCE1 Q9Y256 1/20 0.51
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
RAB9A P51151 1/20 0.50
CYP3A4 P08684 1/20 0.49
NFKB1 P19838 1/20 0.49

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 0.92 HEXA (0.69) HEXAHEXBLCKOGASIRT1
Naphthalimidopropylamine SCHEMBL12502105 0.84 HEXA (1.00) HEXAHEXBLCKOGASIRT1
SCHEMBL5094701 0.82 HEXA (1.00) HEXAHEXBLCKOGASIRT1
SCHEMBL28871492 0.82 HEXA (0.68) HEXAHEXBLCKOGASIRT1
SCHEMBL6601488 0.81 HEXA (0.97) HEXAHEXBLCKOGASIRT1
SCHEMBL8670307 0.81 CYP2D6 (0.61) HEXAHEXBLCKOGAKMT2A
SCHEMBL28465513 0.81 HEXA (0.62) HEXAHEXBLCKOGASIRT1
SCHEMBL626424 0.80 HEXA (1.00) HEXAHEXBLCKOGASIRT1
SCHEMBL8670400 0.80 HEXA (0.53) HEXAHEXBLCKOGASIRT1
SCHEMBL8668325 0.80 HEXA (0.53) HEXAHEXBLCKOGASIRT1

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