SCHEMBL28448606

SCHEMBL28448606

O=C(O)CCN1C(=O)c2cccc3c(N4CCCC4)ccc(c23)C1=O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 13/20 0.73
▸ KMT2A Q03164 13/20 0.73
▸ MAPT P10636 5/20 0.73
▸ RAB9A P51151 2/20 0.73
▸ NPC1 O15118 1/20 0.73
▸ AVPR1A P37288 1/20 0.73
▸ L3MBTL1 Q9Y468 7/20 0.70
▸ MAPK1 P28482 5/20 0.70
▸ TDP1 Q9NUW8 3/20 0.61
▸ CRHBP P24387 2/20 0.61
▸ CRHR2 Q13324 2/20 0.61
▸ HDAC6 Q9UBN7 3/20 0.57
▸ HDAC3 O15379 3/20 0.57
▸ HDAC1 Q13547 3/20 0.57
▸ HDAC8 Q9BY41 2/20 0.57
▸ HDAC11 Q96DB2 2/20 0.57
▸ NCOR2 Q9Y618 2/20 0.57
▸ HDAC2 Q92769 2/20 0.57
▸ HTT P42858 5/20 0.55
▸ LMNA P02545 4/20 0.55

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
SCHEMBL28203805 0.91 HDAC6 (0.70) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL30642693 0.90 MEN1 (0.69) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL10018575 0.90 MEN1 (0.69) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL19886991 0.87 MEN1 (0.69) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL20936540 0.86 MEN1 (0.71) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL19886992 0.86 MEN1 (0.71) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL7732734 0.85 MEN1 (1.00) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL28198224 0.82 MEN1 (0.86) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL12696861 0.82 HDAC3 (0.62) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL12696859 0.82 HDAC3 (0.80) 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-107698648-B Naphthylimide derivative containing cholesterol and synthesis and application thereof 大连理工大学 2020-08-14 — — CN disclosed
CN-107698648-A Naphthylimide derivative containing cholesterol and synthesis and application thereof 大连理工大学 2018-02-16 — — CN disclosed
Send feedback