SCHEMBL7974583

SCHEMBL7974583

COc1cccc(-c2nc3ncn(Cc4ccccc4)c3c(=O)[nH]2)c1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.59
ALDH1A1 P00352 3/20 0.50
HPGD P15428 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
KMT2A Q03164 3/20 0.49
NPSR1 Q6W5P4 2/20 0.47
MEN1 O00255 1/20 0.47
HTT P42858 1/20 0.47
AURKA O14965 1/20 0.47
TP53 P04637 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
XBP1 P17861 1/20 0.46

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
SCHEMBL7985844 0.95 GAA (0.52) GAAALDH1A1HPGDAURKATP53
SCHEMBL7974016 0.94 GAA (0.56) GAAALDH1A1HPGDSMN1; SMN2KMT2A
SCHEMBL7991871 0.92 GAA (0.51) GAAALDH1A1HPGDSMN1; SMN2KMT2A
SCHEMBL7991542 0.92 GAA (0.50) GAAALDH1A1HPGDSMN1; SMN2AURKA
SCHEMBL7985355 0.92 GAA (0.56) GAAALDH1A1HPGDSMN1; SMN2KMT2A
SCHEMBL7974193 0.91 GAA (0.49) GAAALDH1A1HPGDSMN1; SMN2AURKA
SCHEMBL7985371 0.91 GAA (0.49) GAAALDH1A1HPGDKMT2ANPSR1
SCHEMBL7974404 0.91 SMN1; SMN2 (0.49) GAAALDH1A1HPGDSMN1; SMN2KMT2A
SCHEMBL7974092 0.90 GAA (0.51) GAAALDH1A1HPGDSMN1; SMN2KMT2A
SCHEMBL7985575 0.90 HPGD (0.49) GAAHPGDSMN1; SMN2NPSR1AURKA

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