SCHEMBL7929948

SCHEMBL7929948

CCCCc1cc([N+](=O)[O-])cc(CCCC)c1[NH]

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.50
POLB P06746 1/20 0.50
ALDH1A1 P00352 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
MAPT P10636 4/20 0.41
TSHR P16473 1/20 0.39
CYP19A1 P11511 3/20 0.38
ESPL1 Q14674 1/20 0.37
KCNH2 Q12809 1/20 0.37
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35

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
SCHEMBL7930892 0.89 HTT (0.53) HTTPOLBALDH1A1TDP1MAPT
SCHEMBL7928401 0.83 HTT (0.64) HTTPOLBALDH1A1TDP1MAPT
SCHEMBL11216304 0.82 HTT (0.50) HTTPOLBALDH1A1TDP1MAPT
SCHEMBL7929953 0.82 POLB (0.70) HTTPOLBALDH1A1TDP1MAPT
SCHEMBL7921393 0.81 ALDH1A1 (0.48) HTTPOLBALDH1A1TDP1MAPT
SCHEMBL10912325 0.79 ALDH1A1 (0.55) HTTPOLBALDH1A1TDP1MAPT
SCHEMBL574700 0.77 GPR35 (0.54) HTTPOLBALDH1A1TDP1MAPT
SCHEMBL10660860 0.77 ALDH1A1 (0.47) HTTPOLBALDH1A1TDP1MAPT
SCHEMBL11300919 0.77 HTT (0.45) HTTPOLBALDH1A1TDP1MAPT
SCHEMBL7029010 0.77 HTT (0.57) HTTPOLBALDH1A1TDP1MAPT

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