SCHEMBL1665212

SCHEMBL1665212

O=C(Nc1ccc(-n2ncc3cc(Nc4ccc(N5CCC(O)CC5)cc4)ccc32)cc1)c1ccc[nH]1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
GFER P55789 1/20 0.53
TNIK Q9UKE5 1/20 0.42
MAPK10 P53779 9/20 0.42
MAPK8 P45983 7/20 0.42
MAPK13 O15264 3/20 0.42
MAPK12 P53778 3/20 0.42
MAPK11 Q15759 3/20 0.42
MAPK14 Q16539 3/20 0.42
TMIGD3 P0DMS9 1/20 0.42
ADORA1 P30542 1/20 0.42
MAOB P27338 1/20 0.40
NAMPT P43490 1/20 0.38
PDE7A Q13946 1/20 0.38
KDM1A O60341 1/20 0.38
RCOR1 Q9UKL0 1/20 0.38
SYK P43405 1/20 0.38
ABL1 P00519 1/20 0.38

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
SCHEMBL1665214 0.93 NPC1 (0.53) NPC1RAB9AGFERTNIKMAPK10
SCHEMBL1665597 0.86 NPC1 (0.44) NPC1RAB9ATNIKMAPK10MAPK8
SCHEMBL1665067 0.86 MAPK10 (0.42) NPC1RAB9ATNIKMAPK10MAPK8
SCHEMBL1664303 0.86 MAPK10 (0.45) NPC1RAB9ATNIKMAPK10MAPK8
SCHEMBL1666461 0.86 MAPT (0.50) NPC1RAB9AGFERTNIKMAPK10
SCHEMBL1664777 0.85 MAPK10 (0.41) NPC1RAB9ATNIKMAPK10MAPK8
SCHEMBL1664967 0.85 NPC1 (0.71) NPC1RAB9AGFERTNIKNAMPT
SCHEMBL1663342 0.85 MAOB (0.52) NPC1RAB9ATNIKMAPK10MAPK8
SCHEMBL1664474 0.84 TNIK (0.46) NPC1RAB9ATNIKMAPK10MAPK8
SCHEMBL6126509 0.84 SMN1; SMN2 (0.45) NPC1RAB9AGFERTNIKMAPK10

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