SCHEMBL7985355

SCHEMBL7985355

COc1cc(OC)cc(-c2nc3ncn(Cc4ccccc4)c3c(=O)[nH]2)c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.56
ALDH1A1 P00352 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
HPGD P15428 4/20 0.52
KMT2A Q03164 2/20 0.51
KDM4E B2RXH2 2/20 0.44
HTT P42858 2/20 0.44
MTOR P42345 1/20 0.44
MAPT P10636 1/20 0.44
NPSR1 Q6W5P4 2/20 0.44
ADORA3 P0DMS8 1/20 0.43
P2RX7 Q99572 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
BRD4 O60885 1/20 0.42
MEN1 O00255 1/20 0.41

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
SCHEMBL7974583 0.92 GAA (0.59) GAAALDH1A1SMN1; SMN2HPGDKMT2A
SCHEMBL7985230 0.90 ALDH1A1 (0.53) GAAALDH1A1SMN1; SMN2HPGDKMT2A
SCHEMBL7985702 0.88 HPGD (0.50) GAAALDH1A1SMN1; SMN2HPGDKMT2A
SCHEMBL7974016 0.88 GAA (0.56) GAAALDH1A1SMN1; SMN2HPGDKMT2A
SCHEMBL7985321 0.87 SMN1; SMN2 (0.55) GAAALDH1A1SMN1; SMN2HPGDKMT2A
SCHEMBL7985844 0.86 GAA (0.52) GAAALDH1A1HPGDKDM4EMAPT
SCHEMBL7988610 0.85 GUSB (0.54) GAAALDH1A1SMN1; SMN2HPGDKMT2A
SCHEMBL7975265 0.85 SMN1; SMN2 (0.61) GAAALDH1A1SMN1; SMN2HPGDKMT2A
SCHEMBL7974404 0.85 SMN1; SMN2 (0.49) GAAALDH1A1SMN1; SMN2HPGDKMT2A
SCHEMBL7991871 0.84 GAA (0.51) GAAALDH1A1SMN1; SMN2HPGDKMT2A

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