SCHEMBL7974584

SCHEMBL7974584

COc1cccc(-c2nc(O)c3c(ncn3Cc3ccccc3)n2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.56
NR1H2 P55055 3/20 0.51
NR1H3 Q13133 3/20 0.51
CYP1A2 P05177 3/20 0.44
CYP3A4 P08684 3/20 0.44
CLK4 Q9HAZ1 3/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
CYP2D6 P10635 2/20 0.44
TSHR P16473 2/20 0.44
MAPK1 P28482 2/20 0.44
CYP2C19 P33261 2/20 0.44
TP53 P04637 2/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
ALOX15 P16050 1/20 0.44
CYP2C9 P11712 2/20 0.43
USP2 O75604 1/20 0.43
HSD17B10 Q99714 1/20 0.43
RXFP1 Q9HBX9 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
SCHEMBL7985850 0.95 GAA (0.49) GAANR1H2NR1H3CLK4TP53
SCHEMBL7974018 0.94 GAA (0.53) GAANR1H2NR1H3CYP1A2CYP3A4
SCHEMBL7991874 0.92 GAA (0.48) GAANR1H2NR1H3CYP1A2CYP3A4
SCHEMBL7991543 0.92 GAA (0.47) GAANR1H2NR1H3CYP1A2CYP3A4
SCHEMBL7985348 0.91 GAA (0.53) GAANR1H2NR1H3CYP1A2ALDH1A1
SCHEMBL7974194 0.91 ABCG2 (0.48) GAANR1H2NR1H3TSHRMAPT
SCHEMBL7985378 0.91 TSHR (0.47) GAANR1H2NR1H3CYP1A2CYP3A4
SCHEMBL7974406 0.91 GAA (0.46) GAANR1H2NR1H3ALDH1A1LMNA
SCHEMBL7985577 0.90 ABCG2 (0.46) GAANR1H2NR1H3CYP1A2CYP3A4
SCHEMBL7974093 0.90 GAA (0.48) GAANR1H2NR1H3CYP1A2CYP3A4

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