SCHEMBL4598985

SCHEMBL4598985

COc1ccc(CNc2[c]ccc(Cl)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.48
MAPT P10636 6/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CLK4 Q9HAZ1 2/20 0.43
CLK1 P49759 1/20 0.43
CLK2 P49760 1/20 0.43
DYRK1A Q13627 1/20 0.43
DYRK1B Q9Y463 1/20 0.43
MAP2K4 P45985 1/20 0.43
EGFR P00533 1/20 0.42
CDK1 P06493 1/20 0.42
HRH4 Q9H3N8 1/20 0.42
VNN1 O95497 1/20 0.42
BCHE P06276 1/20 0.42

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
SCHEMBL4599375 0.82 MAPT (0.55) HTTMAPTNPC1RAB9AL3MBTL1
SCHEMBL4599593 0.82 MAP2K4 (0.52) MAPTNPC1RAB9AL3MBTL1LMNA
SCHEMBL10659609 0.82 MAPT (0.46) HTTMAPTNPC1RAB9AL3MBTL1
SCHEMBL4599690 0.81 APLNR (0.54) MAPTNPC1RAB9ALMNAMEN1
SCHEMBL4603282 0.80 PKM (0.42) MAPTLMNAMEN1KMT2AEGFR
SCHEMBL7228990 0.77 HTT (0.50) HTTMAPTNPC1RAB9AL3MBTL1
SCHEMBL4600239 0.77 KMT2A (0.60) MAPTNPC1RAB9AGAAMEN1
SCHEMBL4599932 0.76 BCHE (0.53) HTTMAPTGAAMEN1KMT2A
SCHEMBL9683167 0.73 HTT (0.51) HTTMAPTNPC1RAB9AL3MBTL1
SCHEMBL17602062 0.73 NPC1 (0.65) MAPTNPC1RAB9AL3MBTL1LMNA

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-1910320-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2008-04-16 EP claimed
WO-2007011065-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-01-25 WO claimed
EP-1910320-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2008-04-16 EP disclosed
WO-2007011065-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-01-25 WO disclosed