SCHEMBL7985597

SCHEMBL7985597

COc1cccc(-c2nc(O)c3c(ncn3Cc3ccc(C(C)(C)C)cc3)n2)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 1/20 0.46
MAPT P10636 1/20 0.46
GAA P10253 1/20 0.45
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
NR1H4 Q96RI1 3/20 0.41
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
ABCG2 Q9UNQ0 5/20 0.40
TP53 P04637 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
ICMT O60725 1/20 0.39
ABCC8 Q09428 1/20 0.39
KCNJ11 Q14654 1/20 0.39
CCR9 P51686 1/20 0.38
DYRK1A Q13627 2/20 0.38
CLK4 Q9HAZ1 2/20 0.38

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
SCHEMBL7991543 0.89 GAA (0.47) MAPTGAAHDAC1HDAC6NR1H2
SCHEMBL7974584 0.89 GAA (0.56) MAPTGAAHDAC1HDAC6NR1H2
SCHEMBL7974194 0.88 ABCG2 (0.48) MAPTGAAHDAC1HDAC6NR1H2
SCHEMBL7974277 0.88 NR1H4 (0.44) SERPINE1HDAC1HDAC6NR1H4ABCC8
SCHEMBL7985850 0.88 GAA (0.49) GAAHDAC1HDAC6NR1H2NR1H3
SCHEMBL7991400 0.87 NR1H4 (0.43) SERPINE1MAPTGAANR1H4ICMT
SCHEMBL7985010 0.87 NR1H4 (0.43) SERPINE1HDAC1HDAC6NR1H4ABCC8
SCHEMBL7992267 0.86 ICMT (0.44) SERPINE1HDAC1HDAC6NR1H4ICMT
SCHEMBL7974490 0.86 NR1H4 (0.47) NR1H4ABCG2TP53RXFP1ABCC8
SCHEMBL7991874 0.85 GAA (0.48) MAPTGAAHDAC1HDAC6NR1H2

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