SCHEMBL1663808

SCHEMBL1663808

COC(=O)c1ccc(C(=O)Nc2ccc(Nc3ccc(Nc4ccc(N5CCC(O)CC5)cc4)cc3)cc2)[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.45
NPC1 O15118 7/20 0.45
MAPT P10636 7/20 0.45
KMT2A Q03164 4/20 0.45
MCL1 Q07820 2/20 0.45
GFER P55789 2/20 0.45
ALDH1A1 P00352 2/20 0.45
NR4A1 P22736 1/20 0.45
EGFR P00533 1/20 0.42
MEN1 O00255 2/20 0.42
LMNA P02545 2/20 0.42
HPGDS O60760 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GAA P10253 1/20 0.41
PDE7A Q13946 1/20 0.41
USP2 O75604 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 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
SCHEMBL1663810 0.97 MAPT (0.50) RAB9ANPC1MAPTKMT2AMCL1
SCHEMBL1663560 0.90 MAPT (0.50) RAB9ANPC1MAPTKMT2AMCL1
SCHEMBL1664754 0.86 NPC1 (0.46) RAB9ANPC1MAPTKMT2AMCL1
SCHEMBL1665061 0.84 MAPT (0.48) RAB9ANPC1MAPTKMT2AMCL1
SCHEMBL1665060 0.84 KMT2A (0.47) RAB9ANPC1MAPTKMT2AMCL1
SCHEMBL1664756 0.83 RAB9A (0.52) RAB9ANPC1MAPTKMT2AMCL1
SCHEMBL1666190 0.82 NPC1 (0.45) RAB9ANPC1MAPTKMT2AMCL1
SCHEMBL1664434 0.82 NPC1 (0.45) RAB9ANPC1MAPTKMT2AMCL1
SCHEMBL8769706 0.81 RAB9A (0.58) RAB9ANPC1MAPTKMT2AMCL1
SCHEMBL1664437 0.80 RAB9A (0.45) RAB9ANPC1MAPTKMT2AMCL1

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