SCHEMBL1664451

SCHEMBL1664451

CN(CCO)c1ccc(Nc2ccc(Nc3ccc(NC(=O)c4cccn4C)cc3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.47
RAB9A P51151 6/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
SMN1; SMN2 Q16637 5/20 0.42
NFKB1 P19838 3/20 0.42
NFKB2 Q00653 3/20 0.42
RELA Q04206 3/20 0.42
POLB P06746 2/20 0.42
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
PKM P14618 3/20 0.42
GRM1 Q13255 1/20 0.42
HPGD P15428 2/20 0.41
TNIK Q9UKE5 1/20 0.39
IMPDH2 P12268 1/20 0.39
TAS2R8 Q9NYW2 1/20 0.39

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
SCHEMBL1664454 0.95 RAB9A (0.52) NPC1RAB9AL3MBTL1HDAC1HDAC6
SCHEMBL15218130 0.83 RAB9A (0.44) NPC1RAB9AL3MBTL1SMN1; SMN2POLB
SCHEMBL1666557 0.81 NPC1 (0.51) NPC1RAB9AL3MBTL1HDAC1HDAC6
SCHEMBL21254776 0.79 RAB9A (0.50) NPC1RAB9AL3MBTL1HDAC1HDAC6
SCHEMBL1666561 0.77 HDAC6 (0.50) NPC1RAB9AL3MBTL1HDAC1HDAC6
SCHEMBL8776243 0.77 HDAC1 (0.49) NPC1RAB9AL3MBTL1HDAC1HDAC6
SCHEMBL21254607 0.76 TNIK (0.47) NPC1RAB9AL3MBTL1SMN1; SMN2POLB
SCHEMBL8772126 0.74 MAPT (0.48) NPC1RAB9AL3MBTL1SMN1; SMN2NFKB1
SCHEMBL21254714 0.73 TNIK (0.45) NPC1RAB9AL3MBTL1SMN1; SMN2POLB
SCHEMBL7715882 0.73 RAB9A (0.53) NPC1RAB9AL3MBTL1HDAC1HDAC6

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