SCHEMBL7974018

SCHEMBL7974018

COc1cccc(Cn2cnc3nc(-c4ccccc4)nc(O)c32)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.53
TP53 P04637 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
NR1H2 P55055 1/20 0.43
NR1H3 Q13133 1/20 0.43
PTGER4 P35408 1/20 0.43
PTGER2 P43116 1/20 0.43
YTHDC1 Q96MU7 1/20 0.43
LPO P22079 2/20 0.43
SIGMAR1 Q99720 1/20 0.43
ALDH1A1 P00352 3/20 0.42
LMNA P02545 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
RECQL P46063 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
ROCK2 O75116 3/20 0.42
ROCK1 Q13464 2/20 0.42

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
SCHEMBL7985850 0.95 GAA (0.49) GAATP53RXFP1NR1H2NR1H3
SCHEMBL7974584 0.94 GAA (0.56) GAATP53RXFP1NR1H2NR1H3
SCHEMBL7984696 0.92 GAA (0.47) GAATP53RXFP1NR1H2NR1H3
SCHEMBL7989313 0.92 ROCK2 (0.52) GAATP53RXFP1YTHDC1LPO
SCHEMBL7988750 0.91 GAA (0.46) GAATP53RXFP1YTHDC1ALDH1A1
SCHEMBL7985653 0.91 GAA (0.46) GAATP53RXFP1NR1H2NR1H3
SCHEMBL7974093 0.90 GAA (0.48) GAATP53RXFP1NR1H2NR1H3
SCHEMBL7974314 0.90 GAA (0.46) GAATP53RXFP1YTHDC1LPO
SCHEMBL7987433 0.89 ROCK2 (0.54) GAATP53RXFP1ALDH1A1LMNA
SCHEMBL7985378 0.89 TSHR (0.47) GAATP53RXFP1NR1H2NR1H3

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