SCHEMBL6126205

SCHEMBL6126205

O=C(Nc1ccc(-n2ncc3cc(Nc4ccc(N5CCC(O)CC5)cc4)ccc32)cc1)c1ccc2[nH]ccc2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.40
MAPT P10636 2/20 0.40
RAB9A P51151 2/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPK10 P53779 7/20 0.37
MAPK8 P45983 5/20 0.37
MAPK13 O15264 3/20 0.37
MAPK12 P53778 3/20 0.37
MAPK11 Q15759 3/20 0.37
MAPK14 Q16539 3/20 0.37
PDE7B Q9NP56 1/20 0.37
TNIK Q9UKE5 1/20 0.37
EGFR P00533 1/20 0.36
PDE7A Q13946 1/20 0.36
SYK P43405 1/20 0.35
KDM5A P29375 1/20 0.35
ABL1 P00519 1/20 0.35
CHRNA7 P36544 2/20 0.35

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
SCHEMBL6126206 0.93 MAOB (0.41) NPC1MAPTRAB9APOLBMAPK1
SCHEMBL1663835 0.86 MAPK10 (0.40) NPC1MAPTRAB9AMAPK10MAPK8
SCHEMBL1665219 0.86 MAPK10 (0.43) NPC1MAPTRAB9APOLBMAPK10
SCHEMBL1665046 0.85 TNIK (0.44) NPC1MAPTRAB9APOLBMAPK10
SCHEMBL6126290 0.85 CHRNA7 (0.51) NPC1MAPTRAB9AMAPK1MAPK10
SCHEMBL1664777 0.85 MAPK10 (0.41) NPC1MAPTRAB9AMAPK10MAPK8
SCHEMBL1664303 0.82 MAPK10 (0.45) NPC1MAPTRAB9AMAPK10MAPK8
SCHEMBL1665212 0.82 NPC1 (0.53) NPC1RAB9AMAPK10MAPK8MAPK13
SCHEMBL1665075 0.82 NPC1 (0.41) NPC1MAPTRAB9AMAPK1MAPK10
SCHEMBL1665076 0.81 NPC1 (0.49) NPC1MAPTRAB9ATNIK

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-2642994-A2 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS Ligand Pharmaceuticals Incorporated (US) 2013-10-02 EP disclosed
WO-2012068406-A2 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS LIGAND PHARMACEUTICALS INCORPORATED (US) 2012-05-24 WO disclosed