SCHEMBL1663768

SCHEMBL1663768

O=C(Nc1ccc(C(=O)c2ccc(Nc3ccc(N4CCOCC4)cc3)cc2)cc1)c1ccc2[nH]ccc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
MAPT P10636 11/20 0.53
RAB9A P51151 5/20 0.53
NPC1 O15118 4/20 0.53
PKM P14618 2/20 0.53
MAPK1 P28482 2/20 0.53
ATM Q13315 1/20 0.53
TP53 P04637 1/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
ALDH1A1 P00352 2/20 0.53
JAK2 O60674 1/20 0.52
LMNA P02545 2/20 0.51
MAOA P21397 2/20 0.51
MAOB P27338 2/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
KDM4E B2RXH2 1/20 0.50
HPGD P15428 1/20 0.50
HTT P42858 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
SCHEMBL1663772 0.96 HDAC8 (0.59) HDAC8HDAC6MAPTRAB9ANPC1
SCHEMBL1665855 0.85 MAOA (0.53) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL1665857 0.84 MAOA (0.52) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL2343443 0.82 MAPT (0.56) HDAC8HDAC6MAPTRAB9ANPC1
SCHEMBL8770538 0.82 MAOA (0.71) MAPTRAB9ANPC1MAOAMAOB
SCHEMBL8771356 0.82 MAOA (0.71) MAPTRAB9ANPC1MAOAMAOB
SCHEMBL2349122 0.80 MAPK14 (0.62) HDAC8HDAC6MAPTRAB9ANPC1
SCHEMBL1664941 0.80 NPC1 (0.67) HDAC8HDAC6MAPTRAB9ANPC1
SCHEMBL8770431 0.80 HDAC8 (0.81) HDAC8HDAC6MAPTRAB9ANPC1
SCHEMBL1663783 0.80 HDAC8 (0.81) HDAC8HDAC6MAPTRAB9ANPC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2642994-A2 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS Ligand Pharmaceuticals Incorporated (US) 2013-10-02 EP disclosed
EP-2488486-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES Ligand Pharmaceuticals Inc. (US) 2012-08-22 EP disclosed
WO-2012068406-A2 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS LIGAND PHARMACEUTICALS INCORPORATED (US) 2012-05-24 WO disclosed
WO-2011046954-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2011-04-21 WO disclosed