SCHEMBL1666960

SCHEMBL1666960

Cn1cc(C(=O)Nc2ccc(Nc3ccc(Nc4ccc(N5CCC(O)CC5)cc4)cc3)c(F)c2)cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
WDR5 P61964 1/20 0.46
MAPT P10636 2/20 0.43
DHX9 Q08211 1/20 0.42
MAPK8 P45983 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SLC2A1 P11166 1/20 0.41
KDM1A O60341 2/20 0.40
RCOR1 Q9UKL0 2/20 0.40
BRD4 O60885 1/20 0.40
CSF1R P07333 1/20 0.40
GSK3B P49841 1/20 0.40
DYRK1A Q13627 1/20 0.40
PDE7A Q13946 2/20 0.40

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
SCHEMBL1666963 0.96 BRD4 (0.45) ALDH1A1LMNAWDR5MAPTDHX9
SCHEMBL1664640 0.89 ALDH1A1 (0.46) ALDH1A1LMNAWDR5MAPTDHX9
SCHEMBL1664186 0.86 RAB9A (0.50) ALDH1A1LMNAMAPTNPC1GAA
SCHEMBL1665848 0.86 PDE7A (0.40) ALDH1A1LMNAMAPTMAPK8HDAC3
SCHEMBL1664641 0.85 LMNA (0.45) ALDH1A1LMNAMAPTDHX9NPC1
SCHEMBL1664289 0.84 NPC1 (0.47) ALDH1A1LMNAMAPTNPC1GAA
SCHEMBL6126025 0.84 NPC1 (0.47) ALDH1A1MAPTMAPK8NPC1RAB9A
SCHEMBL6126449 0.84 NPC1 (0.47) ALDH1A1MAPTNPC1GAARAB9A
SCHEMBL1664440 0.83 HPGDS (0.41) ALDH1A1LMNAMAPTHDAC3HDAC8
SCHEMBL1664923 0.83 NPC1 (0.46) ALDH1A1MAPTMAPK8NPC1RAB9A

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