SCHEMBL7933244

SCHEMBL7933244

CCOc1cc([N+](=O)[O-])cc(OCC)c1[NH]

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.48
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
ALDH1A1 P00352 4/20 0.44
LMNA P02545 4/20 0.44
NPSR1 Q6W5P4 1/20 0.44
POLB P06746 3/20 0.44
HTT P42858 3/20 0.43
NPC1 O15118 1/20 0.43
PTGS2 P35354 1/20 0.42
TSHR P16473 1/20 0.41
NPBWR1 P48145 1/20 0.40
MCHR1 Q99705 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39

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
SCHEMBL7933239 0.86 CYP19A1 (0.52) MAPTKMT2AALDH1A1LMNANPSR1
SCHEMBL7929875 0.84 CYP19A1 (0.48) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL5233148 0.83 MAPT (0.49) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL7933249 0.81 POLB (0.56) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL7927608 0.81 MAPT (0.40) MAPTALDH1A1POLBHTTTSHR
SCHEMBL11575963 0.80 ALDH1A1 (0.56) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL7929923 0.79 HTT (0.56) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL4238772 0.78 MAPT (0.62) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL30365378 0.78 MAPT (0.62) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL11384978 0.77 POLB (0.51) MAPTKMT2AMEN1ALDH1A1LMNA

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