SCHEMBL4593379

SCHEMBL4593379

CC1CC(c2cc3cccc(Oc4ccc([N+](=O)[O-])cc4F)c3s2)=CCN1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 6/20 0.39
ALDH1A1 P00352 3/20 0.35
MAPT P10636 3/20 0.35
MAPK1 P28482 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PNMT P11086 3/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
S1PR4 O95977 1/20 0.33
MET P08581 4/20 0.33

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
SCHEMBL307946 0.84 HSPB1 (0.40) HSPB1ALDH1A1MAPTMAPK1L3MBTL1
SCHEMBL307788 0.79 MET (0.44) HSPB1ALDH1A1MAPTMAPK1L3MBTL1
SCHEMBL307501 0.77 MET (0.43) HSPB1ALDH1A1MAPTMAPK1L3MBTL1
SCHEMBL10254970 0.73 HSPB1 (0.50) HSPB1ALDH1A1MAPTMAPK1L3MBTL1
SCHEMBL306564 0.68 MET (0.41) HSPB1MET
SCHEMBL7412479 0.68 PNMT (0.47) ALDH1A1MAPTMAPK1L3MBTL1PNMT
SCHEMBL4790042 0.67 PNMT (0.48) MAPTPNMTADRA2AADRA2BADRA2C
SCHEMBL15820188 0.66 HSPB1 (0.80) HSPB1ALDH1A1MAPTMAPK1L3MBTL1
SCHEMBL105274 0.65 MET (0.39) HSPB1ALDH1A1MAPTMAPK1L3MBTL1
SCHEMBL22114132 0.64 HSPB1 (0.63) HSPB1ALDH1A1MAPTMAPK1L3MBTL1

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-1957498-A2 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING MethylGene Inc. (CA) 2008-08-20 EP disclosed
WO-2008041053-A2 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING METHYLGENE, INC. (CA) 2008-04-10 WO disclosed