SCHEMBL7985653

SCHEMBL7985653

COc1cccc(Cn2cnc3nc(-c4cccc(N)c4)nc(O)c32)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
TP53 P04637 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
QPCT Q16769 2/20 0.43
QPCTL Q9NXS2 1/20 0.43
ROCK2 O75116 6/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
ROCK1 Q13464 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
YTHDC1 Q96MU7 1/20 0.41
LPO P22079 2/20 0.40
PTGER4 P35408 1/20 0.39
PTGER2 P43116 1/20 0.39
CD74 P04233 1/20 0.39
MIF P14174 1/20 0.39
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39

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 0.94 GAA (0.49) GAATP53RXFP1QPCTQPCTL
SCHEMBL7984696 0.91 GAA (0.47) GAATP53RXFP1QPCTQPCTL
SCHEMBL7974018 0.91 GAA (0.53) GAATP53RXFP1QPCTQPCTL
SCHEMBL7974314 0.89 GAA (0.46) GAATP53RXFP1ROCK2ROCK1
SCHEMBL7974093 0.89 GAA (0.48) GAATP53RXFP1ROCK2ROCK1
SCHEMBL7974584 0.89 GAA (0.56) GAATP53RXFP1ADORA2AADORA1
SCHEMBL7985378 0.88 TSHR (0.47) GAATP53RXFP1MEN1KMT2A
SCHEMBL7985577 0.87 ABCG2 (0.46) GAATP53RXFP1MEN1KMT2A
SCHEMBL7991874 0.87 GAA (0.48) GAATP53RXFP1ROCK2MEN1
SCHEMBL7989313 0.87 ROCK2 (0.52) GAATP53RXFP1ROCK2ROCK1

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