SCHEMBL7933249

SCHEMBL7933249

CCOc1cc([N+](=O)[O-])cc(OCC)c1N

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.56
HTT P42858 3/20 0.56
MAPT P10636 8/20 0.55
KMT2A Q03164 4/20 0.55
MEN1 O00255 3/20 0.55
NPC1 O15118 1/20 0.50
ALDH1A1 P00352 6/20 0.48
LMNA P02545 3/20 0.48
NPSR1 Q6W5P4 1/20 0.48
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PTGS2 P35354 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP19A1 P11511 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
SCHEMBL11384978 0.91 POLB (0.51) POLBHTTMAPTKMT2AMEN1
SCHEMBL11808009 0.89 ALDH1A1 (0.56) POLBHTTMAPTKMT2AMEN1
SCHEMBL27510251 0.89 MAPT (0.49) POLBHTTMAPTKMT2AMEN1
SCHEMBL7933242 0.87 HTT (0.55) POLBHTTMAPTKMT2AMEN1
SCHEMBL7929877 0.86 POLB (0.53) POLBHTTMAPTKMT2AMEN1
SCHEMBL11651449 0.85 XDH (0.56) POLBHTTMAPTKMT2AMEN1
SCHEMBL5233148 0.83 MAPT (0.49) POLBHTTMAPTKMT2AMEN1
SCHEMBL2084753 0.82 HTT (0.67) POLBHTTMAPTKMT2AMEN1
SCHEMBL7933244 0.81 MAPT (0.48) POLBHTTMAPTKMT2AMEN1
SCHEMBL7927610 0.81 HTT (0.47) POLBHTTMAPTKMT2AMEN1

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-0661350-B1 Quinizarin compound, method for production thereof, and use therefor NIPPON CATALYTIC CHEM IND (JP) 2001-08-22 EP disclosed
US-5817843-A Quinizarin compound, method for production thereof, and use therefor NIPPON SHOKUBAI CO., LTD. (JP) 1998-10-06 US disclosed
US-5608091-A SHEETS FOR HEAT EXCHANGING AND OPTICAL RECORDING MATERIAL NIPPON SHOKUBAI CO., LTD. (JP) 1997-03-04 US disclosed
EP-0661350-A1 Quinizarin compound, method for production thereof, and use therefor NIPPON SHOKUBAI CO., LTD. (JP) 1995-07-05 EP disclosed