SCHEMBL1665075

SCHEMBL1665075

O=C(Nc1ccc(-n2ncc3cc(Nc4ccc(N5CCC(O)CC5)cc4)ccc32)cc1)c1ccncn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
MAPK10 P53779 5/20 0.40
MAPK13 O15264 2/20 0.40
MAPK12 P53778 2/20 0.40
MAPK11 Q15759 2/20 0.40
MAPK14 Q16539 2/20 0.40
GRM4 Q14833 2/20 0.40
NAMPT P43490 1/20 0.40
MAPK8 P45983 3/20 0.39
SYK P43405 2/20 0.39
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
ABL1 P00519 1/20 0.39
GAA P10253 1/20 0.39
TNIK Q9UKE5 1/20 0.39
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38
KLF5 Q13887 1/20 0.38
MAPK1 P28482 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
SCHEMBL1665077 0.92 MAOB (0.43) NPC1RAB9AMAPK10MAPK13MAPK12
SCHEMBL1666461 0.89 MAPT (0.50) NPC1RAB9AMAPK10MAPK13MAPK12
SCHEMBL6126509 0.87 SMN1; SMN2 (0.45) NPC1RAB9AMAPK10MAPK13MAPK12
SCHEMBL1666888 0.86 IRAK4 (0.42) NPC1RAB9AMAPK10MAPK13MAPK12
SCHEMBL13964705 0.85 MAPT (0.52) NPC1RAB9AMAPK10MAPK13MAPK12
SCHEMBL1664777 0.84 MAPK10 (0.41) NPC1RAB9AMAPK10MAPK13MAPK12
SCHEMBL6126290 0.84 CHRNA7 (0.51) NPC1RAB9AMAPK10MAPK13MAPK12
SCHEMBL1664957 0.84 MGLL (0.43) MAPK10MAPK13MAPK12MAPK11MAPK14
SCHEMBL6126314 0.84 RAB9A (0.56) NPC1RAB9AMAPK10MAPK13MAPK12
SCHEMBL1665369 0.83 MAPT (0.43) NPC1RAB9AMAPK10MAPK13MAPK12

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2488486-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES Ligand Pharmaceuticals Inc. (US) 2012-08-22 EP disclosed
WO-2011046954-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2011-04-21 WO disclosed