SCHEMBL4599593

SCHEMBL4599593

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 1/20 0.52
MAPT P10636 5/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TP53 P04637 1/20 0.43
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CA7 P43166 1/20 0.42
CA13 Q8N1Q1 1/20 0.42
GPR35 Q9HC97 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
SCHEMBL10659609 0.82 MAPT (0.46) MAPTNPC1RAB9AL3MBTL1LMNA
SCHEMBL4598985 0.82 HTT (0.48) MAP2K4MAPTNPC1RAB9AL3MBTL1
SCHEMBL4599375 0.82 MAPT (0.55) MAP2K4MAPTNPC1RAB9AL3MBTL1
SCHEMBL4599467 0.81 APLNR (0.54) MAPTNPC1RAB9ALMNAGAA
SCHEMBL4599833 0.80 LMNA (0.45) MAPTL3MBTL1LMNAGAAMEN1
SCHEMBL7228990 0.77 HTT (0.50) MAPTNPC1RAB9AL3MBTL1LMNA
SCHEMBL4600239 0.77 KMT2A (0.60) MAPTNPC1RAB9AGAAMEN1
SCHEMBL4599932 0.76 BCHE (0.53) MAPTGAAMEN1KMT2ATP53
SCHEMBL4599161 0.75 HTT (0.49) MAPTL3MBTL1LMNAGAATP53
SCHEMBL4599252 0.74 ALDH1A1 (0.51) MAPTRAB9AL3MBTL1LMNAMEN1

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