SCHEMBL7930693

SCHEMBL7930693

O=C1c2ccc(Nc3ccc([N+](=O)[O-])cc3)cc2C(=O)c2c(O)ccc(O)c21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 2/20 0.48
MAPT P10636 2/20 0.48
POLB P06746 1/20 0.48
APEX1 P27695 1/20 0.48
HPGD P15428 2/20 0.47
ALOX12 P18054 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CASP3 P42574 2/20 0.45
CASP2 P42575 1/20 0.45
CASP7 P55210 1/20 0.45
CASP8 Q14790 1/20 0.45
PTPRC P08575 3/20 0.45
S100A4 P26447 2/20 0.45
PTPN1 P18031 1/20 0.45
CDC25A P30304 1/20 0.45
CDC25B P30305 1/20 0.45
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
CES1 P23141 1/20 0.44
KIF11 P52732 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
SCHEMBL7928287 0.88 P2RY2 (0.48) CASP6MAPTPOLBAPEX1CASP3
SCHEMBL29664268 0.87 HPGD (0.58) CASP6MAPTHPGDALOX12L3MBTL1
SCHEMBL28394913 0.87 HPGD (0.58) CASP6MAPTHPGDALOX12L3MBTL1
SCHEMBL10692748 0.84 PTPRC (0.65) CASP6MAPTPOLBAPEX1HPGD
SCHEMBL7930873 0.81 MEN1 (0.56) CASP6MAPTPOLBAPEX1HPGD
SCHEMBL7929792 0.79 MAPT (0.57) CASP6MAPTPOLBAPEX1HPGD
SCHEMBL28397382 0.77 CASP3 (0.67) CASP6MAPTPOLBCASP3CASP2
SCHEMBL7929854 0.76 POLB (0.50) CASP6MAPTPOLBAPEX1HPGD
SCHEMBL7928282 0.76 APP (0.56) CASP6MAPTPOLBHPGDL3MBTL1
SCHEMBL7927158 0.76 CYP3A4 (0.51) CASP6MAPTPOLBAPEX1HPGD

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