SCHEMBL28198224

SCHEMBL28198224

O=C1c2cccc3c(N4CCCCC4)ccc(c23)C(=O)N1CCCO

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 12/20 0.86
KMT2A Q03164 12/20 0.86
MAPT P10636 5/20 0.86
RAB9A P51151 3/20 0.86
NPC1 O15118 2/20 0.86
AVPR1A P37288 1/20 0.86
L3MBTL1 Q9Y468 5/20 0.73
MAPK1 P28482 3/20 0.73
CRHBP P24387 2/20 0.65
CRHR2 Q13324 2/20 0.65
TDP1 Q9NUW8 2/20 0.65
HTT P42858 6/20 0.58
LMNA P02545 5/20 0.58
USP2 O75604 4/20 0.58
TLR9 Q9NR96 2/20 0.58
POLB P06746 2/20 0.58
HDAC3 O15379 2/20 0.57
HDAC1 Q13547 2/20 0.57
HDAC11 Q96DB2 2/20 0.57
HDAC8 Q9BY41 2/20 0.57

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
SCHEMBL19327047 0.94 MEN1 (0.80) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL7732734 0.92 MEN1 (1.00) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL28198225 0.89 HDAC6 (0.71) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL28474023 0.89 MEN1 (0.69) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL11485650 0.88 MEN1 (0.86) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL6311388 0.87 MEN1 (0.81) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL28415797 0.85 MEN1 (0.82) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL30642693 0.85 MEN1 (0.69) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL10018575 0.85 MEN1 (0.69) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL29655588 0.85 MEN1 (0.77) MEN1KMT2AMAPTRAB9ANPC1

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
CN-107698571-B Naphthalimide-coumarin DNA targeting double-intercalator, synthesis and application thereof 大连理工大学 2020-07-14 CN disclosed
CN-107698571-A Naphthalimide-coumarin DNA targeting double-intercalator, synthesis and application thereof 大连理工大学 2018-02-16 CN disclosed