SCHEMBL7933133

SCHEMBL7933133

CC(C)Cc1cc([N+](=O)[O-])cc(CC(C)C)c1[NH]

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.47
POLB P06746 1/20 0.47
TSHR P16473 1/20 0.41
MAPT P10636 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP19A1 P11511 1/20 0.39
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 1/20 0.37
FBP1 P09467 1/20 0.37
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
GALR3 O60755 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GRIN1 Q05586 1/20 0.34

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
SCHEMBL7933139 0.81 HTT (0.67) HTTPOLBTSHRMAPTL3MBTL1
SCHEMBL7928401 0.80 HTT (0.64) HTTPOLBTSHRMAPTL3MBTL1
SCHEMBL841655 0.78 TSHR (0.46) HTTPOLBTSHRMAPTL3MBTL1
SCHEMBL3172874 0.76 GPR35 (0.56) HTTPOLBTSHRMAPTL3MBTL1
SCHEMBL29424516 0.76 GPR35 (0.56) HTTPOLBTSHRMAPTL3MBTL1
SCHEMBL10660267 0.76 TDP1 (0.46) HTTPOLBTSHRMAPTL3MBTL1
SCHEMBL7930892 0.76 HTT (0.53) HTTPOLBTSHRMAPTL3MBTL1
SCHEMBL13248046 0.75 POLB (0.49) HTTPOLBTSHRMAPTTDP1
SCHEMBL4871383 0.75 HTT (0.66) HTTPOLBTSHRMAPTL3MBTL1
SCHEMBL14600852 0.75 CYP19A1 (0.48) HTTPOLBTSHRMAPTL3MBTL1

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