SCHEMBL7988408

SCHEMBL7988408

COc1cccc(-c2nc(O)c3c(ncn3Cc3ccccc3F)n2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
GAA P10253 1/20 0.41
ABCG2 Q9UNQ0 5/20 0.41
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
PTGER3 P43115 1/20 0.40
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GNRHR P30968 2/20 0.39
NR1H2 P55055 1/20 0.39

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
SCHEMBL7988749 0.87 PDE4A (0.41) ALDH1A1ABCG2PDE4APDE4BPDE4C
SCHEMBL7984681 0.87 PDE4A (0.41) ALDH1A1ADORA2AADORA1ABCG2PDE4A
SCHEMBL7974584 0.86 GAA (0.56) ALDH1A1TSHRHSD17B10ADORA2AADORA1
SCHEMBL7985410 0.86 PDE4A (0.41) ALDH1A1HPGDADORA2AADORA1PDE4A
SCHEMBL7987222 0.85 PDE4A (0.49) ALDH1A1GAAPDE4APDE4BPDE4C
SCHEMBL7974194 0.85 ABCG2 (0.48) HPGDTSHRADORA2AGAAABCG2
SCHEMBL7974200 0.85 PDE4A (0.42) ALDH1A1ADORA1PDE4APDE4BPDE4C
SCHEMBL7985850 0.85 GAA (0.49) ADORA2AADORA1GAAABCG2NR1H2
SCHEMBL7985577 0.84 ABCG2 (0.46) ALDH1A1SMN1; SMN2HPGDGAAABCG2
SCHEMBL7974314 0.82 GAA (0.46) SMN1; SMN2HPGDGAAABCG2KDM4E

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