SCHEMBL7974016

SCHEMBL7974016

COc1cccc(Cn2cnc3nc(-c4ccccc4)[nH]c(=O)c32)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.56
TP53 P04637 2/20 0.51
RXFP1 Q9HBX9 1/20 0.51
HPGD P15428 2/20 0.48
ALDH1A1 P00352 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ROCK2 O75116 4/20 0.47
ROCK1 Q13464 4/20 0.47
AURKA O14965 1/20 0.45
PRKCB P05771 1/20 0.45
GRK2 P25098 1/20 0.45
AKT1 P31749 1/20 0.45
GRK5 P34947 1/20 0.45
GRK6 P43250 1/20 0.45
CAMK2B Q13554 1/20 0.45
RPS6KA1 Q15418 1/20 0.45

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
SCHEMBL7985844 0.95 GAA (0.52) GAATP53RXFP1HPGDALDH1A1
SCHEMBL7974583 0.94 GAA (0.59) GAATP53RXFP1HPGDALDH1A1
SCHEMBL7989309 0.92 ROCK2 (0.55) GAATP53RXFP1HPGDALDH1A1
SCHEMBL7985650 0.91 GAA (0.49) GAATP53RXFP1HPGDKMT2A
SCHEMBL7988743 0.91 GAA (0.49) GAATP53RXFP1HPGDALDH1A1
SCHEMBL7984692 0.90 GAA (0.48) GAATP53RXFP1HPGDALDH1A1
SCHEMBL7974310 0.90 GAA (0.48) GAATP53RXFP1HPGDSMN1; SMN2
SCHEMBL7974092 0.90 GAA (0.51) GAATP53RXFP1HPGDALDH1A1
SCHEMBL7987428 0.89 ROCK2 (0.57) GAATP53RXFP1ROCK2ROCK1
SCHEMBL7985371 0.89 GAA (0.49) GAATP53RXFP1HPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6310070-B1 FOR TREATING NEPHRITIS, IMPROVING PROTEINURIA DUE TO GLOMERULONEPHRITIS AND PREVENTING AGGRAVATION OF NEPHRITIS JAPAN ENERGY CORPORATION (JP) 2001-10-30 US disclosed
EP-0999211-A1 NOVEL PURINE DERIVATIVES AND MEDICINAL USE THEREOF JAPAN ENERGY CORPORATION (JP) 2000-05-10 EP disclosed