SCHEMBL1664323

SCHEMBL1664323

O=C(c1ccc(NC(=O)c2c[nH]c3ccccc23)cc1)c1ccc(Nc2ccc(N3CCC(O)CC3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.51
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
GFER P55789 1/20 0.45
CFTR P13569 4/20 0.45
ROCK1 Q13464 2/20 0.45
RAB9A P51151 1/20 0.42
HTR2C P28335 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPC1 O15118 1/20 0.42
FLT3 P36888 1/20 0.41
ACKR3 P25106 1/20 0.41

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
SCHEMBL8770073 0.95 HRH3 (0.52) HRH3ALDH1A1MAPTGFERCFTR
SCHEMBL1664936 0.95 HRH3 (0.52) HRH3ALDH1A1MAPTGFERCFTR
SCHEMBL1664934 0.95 HRH3 (0.55) HRH3ALDH1A1MAPTGFERCFTR
SCHEMBL1664061 0.87 DHPS (0.50) ALDH1A1MAPTGFERRAB9AMEN1
SCHEMBL8770716 0.82 DHPS (0.53) ALDH1A1MAPTGFERROCK1RAB9A
SCHEMBL1664064 0.80 RAB9A (0.40) ALDH1A1MAPTGFERRAB9AMEN1
SCHEMBL1664358 0.79 NPC1 (0.46) MAPTGFERRAB9AMEN1KMT2A
SCHEMBL1664961 0.79 NPC1 (0.65) MAPTGFERRAB9AMEN1KMT2A
SCHEMBL1664469 0.78 RAB9A (0.58) ALDH1A1MAPTRAB9AMEN1KMT2A
SCHEMBL8769706 0.78 RAB9A (0.58) ALDH1A1MAPTRAB9AMEN1KMT2A

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