SCHEMBL7045733

SCHEMBL7045733

CCCCCCCCOc1c(CO)c2ccc([N+](=O)[O-])cc2[nH]c1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.56
PARP1 P09874 1/20 0.46
CYP19A1 P11511 4/20 0.42
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
GRIN3A Q8TCU5 1/20 0.42
GRIA1 P42261 1/20 0.41
GRIA2 P42262 1/20 0.41
GRIA3 P42263 1/20 0.41
GRIA4 P48058 1/20 0.41
MEN1 O00255 2/20 0.41
POLB P06746 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 1/20 0.41
CNR2 P34972 2/20 0.41
CNR1 P21554 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
SCHEMBL7997960 0.88 PARP1 (0.51) KCNH2PARP1CYP19A1GRIN2DGRIN3B
SCHEMBL7998563 0.88 PARP1 (0.51) KCNH2PARP1CYP19A1GRIN2DGRIN3B
SCHEMBL7992045 0.87 PARP1 (0.48) KCNH2PARP1CYP19A1GRIN2DGRIN3B
SCHEMBL7999303 0.87 PARP1 (0.48) KCNH2PARP1CYP19A1GRIN2DGRIN3B
SCHEMBL7999058 0.87 PARP1 (0.50) KCNH2PARP1CYP19A1GRIN2DGRIN3B
SCHEMBL8000575 0.87 PARP1 (0.50) KCNH2PARP1CYP19A1GRIN2DGRIN3B
SCHEMBL8000899 0.87 PARP1 (0.50) KCNH2PARP1CYP19A1GRIN2DGRIN3B
SCHEMBL8001259 0.85 PARP1 (0.48) KCNH2PARP1CYP19A1GRIN2DGRIN3B
SCHEMBL8004266 0.85 PARP1 (0.48) KCNH2PARP1CYP19A1GRIN2DGRIN3B
SCHEMBL8001780 0.85 PARP1 (0.48) KCNH2PARP1CYP19A1GRIN2DGRIN3B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0933378-B1 Quinolinone glycoside, production process, and anti-allergic agent DAINIPPON INK & CHEMICALS (JP) 2003-04-09 EP disclosed
US-6242425-B1 SINAPIC ACID GLYCOSIDE INTERMEDIATES DAINIPPON INK AND CHEMICALS, INC. (JP) 2001-06-05 US disclosed
EP-0933378-A1 Quinolinone glycoside, production process, and anti-allergic agent DAINIPPON INK AND CHEMICALS, INC. (JP) 1999-08-04 EP disclosed