SCHEMBL7933242

SCHEMBL7933242

CCCOc1cc([N+](=O)[O-])cc(OCCC)c1N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.55
POLB P06746 2/20 0.55
CYP19A1 P11511 6/20 0.54
MAPT P10636 6/20 0.50
NPC1 O15118 2/20 0.45
LMNA P02545 2/20 0.45
RECQL P46063 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 4/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
KDM4E B2RXH2 1/20 0.42
USP2 O75604 1/20 0.42
TP53 P04637 1/20 0.42
GAA P10253 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL7929877 0.91 POLB (0.53) HTTPOLBCYP19A1MAPTNPC1
SCHEMBL7933249 0.87 POLB (0.56) HTTPOLBCYP19A1MAPTNPC1
SCHEMBL11349219 0.85 HTT (0.47) HTTPOLBCYP19A1MAPTNPC1
SCHEMBL3294199 0.85 HTT (0.63) HTTPOLBCYP19A1MAPTNPC1
SCHEMBL7933239 0.84 CYP19A1 (0.52) HTTPOLBCYP19A1MAPTNPC1
SCHEMBL4226708 0.81 CYP19A1 (0.63) HTTCYP19A1MAPTNPC1LMNA
SCHEMBL397794 0.80 TDP1 (0.64) HTTPOLBCYP19A1MAPTNPC1
SCHEMBL29469600 0.80 TDP1 (0.64) HTTPOLBCYP19A1MAPTNPC1
SCHEMBL11384978 0.79 POLB (0.51) HTTPOLBMAPTNPC1LMNA
SCHEMBL7927610 0.79 HTT (0.47) HTTPOLBMAPTNPC1SMN1; SMN2

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