SCHEMBL7927608

SCHEMBL7927608

CC(C)COc1cc([N+](=O)[O-])cc(OCC(C)C)c1[NH]

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
MYC P01106 1/20 0.38
MAX P61244 1/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
XDH P47989 1/20 0.38
AR P10275 1/20 0.38
PELP1 Q8IZL8 1/20 0.38
TSHR P16473 1/20 0.37
MAPK1 P28482 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GAA P10253 2/20 0.37
HTT P42858 2/20 0.37
POLB P06746 1/20 0.36

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
SCHEMBL7927610 0.83 HTT (0.47) MAPTMYCMAXALDH1A1SMN1; SMN2
SCHEMBL7933244 0.81 MAPT (0.48) MAPTALDH1A1TSHRHTTPOLB
SCHEMBL7933239 0.78 CYP19A1 (0.52) MAPTALDH1A1SMN1; SMN2TSHRTDP1
SCHEMBL7930908 0.77 CYP19A1 (0.50) MAPTALDH1A1SMN1; SMN2TSHRTDP1
SCHEMBL7929875 0.77 CYP19A1 (0.48) MAPTALDH1A1SMN1; SMN2MAPK1TDP1
SCHEMBL28525366 0.76 ALDH1A1 (0.47) MAPTALDH1A1SMN1; SMN2MAPK1TDP1
SCHEMBL7929923 0.74 HTT (0.56) MAPTALDH1A1SMN1; SMN2TSHRTDP1
SCHEMBL5866590 0.74 ALDH1A1 (0.51) MAPTALDH1A1SMN1; SMN2TSHRMAPK1
SCHEMBL3032438 0.74 XDH (0.52) MAPTALDH1A1XDH
SCHEMBL6052357 0.73 SMN1; SMN2 (0.44) MAPTALDH1A1SMN1; SMN2XDHTDP1

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