SCHEMBL4599680

SCHEMBL4599680

COc1ccc(CNc2[c]ccc([N+](=O)[O-])c2)c(OC)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.52
ALDH1A1 P00352 5/20 0.52
HTT P42858 4/20 0.52
APLNR P35414 1/20 0.48
KMT2A Q03164 6/20 0.47
MEN1 O00255 5/20 0.47
CRHBP P24387 2/20 0.47
CRHR2 Q13324 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.45
KDM4E B2RXH2 2/20 0.45
POLB P06746 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
GAA P10253 1/20 0.45
MAPK1 P28482 1/20 0.45
ERBB2 P04626 1/20 0.44
PRKACA P17612 1/20 0.44
RPS6KB1 P23443 1/20 0.44
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
IRAK1 P51617 1/20 0.44

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
SCHEMBL4600239 0.83 KMT2A (0.60) MAPTALDH1A1KMT2AMEN1CRHBP
SCHEMBL4599690 0.79 APLNR (0.54) MAPTALDH1A1APLNRKMT2AMEN1
SCHEMBL4599467 0.79 APLNR (0.54) MAPTALDH1A1APLNRKMT2AMEN1
SCHEMBL4599436 0.79 APLNR (0.54) MAPTALDH1A1HTTAPLNRKMT2A
SCHEMBL4600346 0.77 APLNR (0.48) ALDH1A1APLNRKMT2AMEN1TDP1
SCHEMBL3874717 0.74 MAPT (0.50) MAPTALDH1A1HTTAPLNRKMT2A
SCHEMBL28839931 0.74 APLNR (0.61) MAPTALDH1A1HTTAPLNRKMT2A
SCHEMBL4599421 0.73 MAOB (0.50) MAPTALDH1A1APLNRKMT2AMEN1
SCHEMBL8530284 0.73 KMT2A (0.46) MAPTALDH1A1HTTKMT2AMEN1
SCHEMBL4610582 0.73 ALDH1A1 (0.45) MAPTALDH1A1HTTAPLNRKMT2A

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