SCHEMBL7991871

SCHEMBL7991871

COc1cccc(-c2nc3ncn(Cc4cccc(Cl)c4)c3c(=O)[nH]2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.51
TP53 P04637 2/20 0.46
MAPT P10636 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
GLA P06280 1/20 0.45
HTT P42858 1/20 0.45
UBE2N P61088 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
AURKA O14965 1/20 0.43
P2RX7 Q99572 3/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
ALOX15 P16050 1/20 0.43
CYP2C19 P33261 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
SCHEMBL7974092 0.96 GAA (0.51) GAATP53MAPTRXFP1SMN1; SMN2
SCHEMBL7985844 0.93 GAA (0.52) GAATP53MAPTRXFP1AURKA
SCHEMBL7974583 0.92 GAA (0.59) GAATP53RXFP1SMN1; SMN2HTT
SCHEMBL7973624 0.90 SMN1; SMN2 (0.48) SMN1; SMN2GLAHTTUBE2NL3MBTL1
SCHEMBL7985371 0.90 GAA (0.49) GAATP53MAPTRXFP1AURKA
SCHEMBL7985575 0.89 HPGD (0.49) GAATP53RXFP1SMN1; SMN2AURKA
SCHEMBL7991542 0.89 GAA (0.50) GAATP53RXFP1SMN1; SMN2AURKA
SCHEMBL7974016 0.88 GAA (0.56) GAATP53MAPTRXFP1SMN1; SMN2
SCHEMBL7985650 0.88 GAA (0.49) GAATP53RXFP1HTTAURKA
SCHEMBL7974193 0.88 GAA (0.49) GAATP53MAPTRXFP1SMN1; SMN2

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