SCHEMBL7974586

SCHEMBL7974586

COc1cccc(-c2nc(=O)c3c(ncn3Cc3ccccc3)[nH]2)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.52
TP53 P04637 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
PARN O95453 1/20 0.46
CNOT7 Q9UIV1 1/20 0.46
MAPT P10636 1/20 0.45
P2RX7 Q99572 2/20 0.45
NR1H2 P55055 1/20 0.44
NR1H3 Q13133 1/20 0.44
PIN1 Q13526 1/20 0.43
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43

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
SCHEMBL7985852 0.95 TP53 (0.52) GAATP53RXFP1MAPT
SCHEMBL7974021 0.94 TP53 (0.51) GAATP53RXFP1PARNCNOT7
SCHEMBL7991877 0.92 P2RX7 (0.47) GAATP53RXFP1MAPTP2RX7
SCHEMBL7991545 0.92 TSHR (0.48) GAATP53RXFP1MAPTPIN1
SCHEMBL7985350 0.92 GAA (0.48) GAATP53RXFP1PARNCNOT7
SCHEMBL7985381 0.91 HPGD (0.48) GAATP53RXFP1MAPTP2RX7
SCHEMBL7974195 0.91 GAA (0.48) GAATP53RXFP1MAPTP2RX7
SCHEMBL7974409 0.91 PARN (0.45) GAATP53PARNCNOT7MAPT
SCHEMBL7985580 0.90 HPGD (0.49) GAATP53RXFP1P2RX7
SCHEMBL7974096 0.90 TP53 (0.48) GAATP53RXFP1MAPTP2RX7

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