SCHEMBL7985348

SCHEMBL7985348

COc1cc(OC)cc(-c2nc(O)c3c(ncn3Cc3ccccc3)n2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.43
NR1H2 P55055 1/20 0.42
NR1H3 Q13133 1/20 0.42
P2RX7 Q99572 2/20 0.39
HPGD P15428 2/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
MAPT P10636 1/20 0.38
TP53 P04637 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37

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
SCHEMBL7974584 0.91 GAA (0.56) GAANR1H2NR1H3ALDH1A1CYP11B1
SCHEMBL7985225 0.90 GAA (0.48) GAAL3MBTL1P2RX7HPGDALDH1A1
SCHEMBL7985705 0.88 CYP11B1 (0.49) GAAL3MBTL1HPGDSMN1; SMN2CYP11B1
SCHEMBL7974018 0.87 GAA (0.53) GAANR1H2NR1H3ALDH1A1MAPT
SCHEMBL7985325 0.86 HPGD (0.42) GAAHPGDALDH1A1SMN1; SMN2CYP11B1
SCHEMBL7985850 0.86 GAA (0.49) GAANR1H2NR1H3TP53RXFP1
SCHEMBL7988602 0.86 GAA (0.45) GAAL3MBTL1P2RX7TLR7TSHR
SCHEMBL7988787 0.85 SMN1; SMN2 (0.42) GAAHPGDALDH1A1SMN1; SMN2CYP11B1
SCHEMBL7975267 0.84 SMN1; SMN2 (0.46) GAANR1H3HPGDALDH1A1SMN1; SMN2
SCHEMBL7984888 0.84 HPGD (0.41) GAAHPGDALDH1A1SMN1; SMN2RXFP1

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