SCHEMBL7991874

SCHEMBL7991874

COc1cccc(-c2nc(O)c3c(ncn3Cc3cccc(Cl)c3)n2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.48
ABCG2 Q9UNQ0 3/20 0.46
NR1H2 P55055 1/20 0.43
NR1H3 Q13133 1/20 0.43
TP53 P04637 2/20 0.43
MAPT P10636 2/20 0.43
YTHDC1 Q96MU7 2/20 0.43
RXFP1 Q9HBX9 1/20 0.42
GLA P06280 1/20 0.41
HTT P42858 1/20 0.41
UBE2N P61088 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TSHR P16473 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
USP2 O75604 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL7974093 0.96 GAA (0.48) GAAABCG2NR1H2NR1H3TP53
SCHEMBL7985850 0.93 GAA (0.49) GAAABCG2NR1H2NR1H3TP53
SCHEMBL7974584 0.92 GAA (0.56) GAAABCG2NR1H2NR1H3TP53
SCHEMBL7973626 0.90 SMN1; SMN2 (0.45) YTHDC1GLAHTTUBE2NSMN1; SMN2
SCHEMBL7985378 0.89 TSHR (0.47) GAAABCG2NR1H2NR1H3TP53
SCHEMBL7985577 0.88 ABCG2 (0.46) GAAABCG2NR1H2NR1H3TP53
SCHEMBL7984696 0.88 GAA (0.47) GAAABCG2NR1H2NR1H3TP53
SCHEMBL7991543 0.88 GAA (0.47) GAAABCG2NR1H2NR1H3TP53
SCHEMBL7974018 0.88 GAA (0.53) GAAABCG2NR1H2NR1H3TP53
SCHEMBL7974194 0.87 ABCG2 (0.48) GAAABCG2NR1H2NR1H3MAPT

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