SCHEMBL4600239

SCHEMBL4600239

COc1ccc(CNc2[c]ccc([N+](=O)[O-])c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.60
MEN1 O00255 3/20 0.60
MAPT P10636 3/20 0.60
CRHBP P24387 2/20 0.60
CRHR2 Q13324 2/20 0.60
NPC1 O15118 2/20 0.54
RAB9A P51151 1/20 0.54
EGFR P00533 2/20 0.47
IGF1R P08069 1/20 0.47
CNR2 P34972 1/20 0.46
ALDH1A1 P00352 2/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
KCNJ1 P48048 1/20 0.45
KCNH2 Q12809 1/20 0.45
GABRP O00591 1/20 0.43
GABRD O14764 1/20 0.43
GABRA1 P14867 1/20 0.43
GABRB1 P18505 1/20 0.43
GABRG2 P18507 1/20 0.43

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
SCHEMBL4599680 0.83 MAPT (0.52) KMT2AMEN1MAPTCRHBPCRHR2
SCHEMBL4599148 0.82 MAPT (0.55) KMT2AMEN1MAPTCRHBPCRHR2
SCHEMBL2154099 0.77 KMT2A (0.48) KMT2AMEN1MAPTCRHBPCRHR2
SCHEMBL4598985 0.77 HTT (0.48) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL4599375 0.77 MAPT (0.55) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL10659609 0.77 MAPT (0.46) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL4599593 0.77 MAP2K4 (0.52) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL4599560 0.76 MAPT (0.50) KMT2AMEN1MAPTCRHBPCRHR2
SCHEMBL5521162 0.75 MAPT (0.81) KMT2AMEN1MAPTCRHBPCRHR2
SCHEMBL10358222 0.75 MAPT (0.77) KMT2AMEN1MAPTCRHBPCRHR2

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