SCHEMBL7984487

SCHEMBL7984487

CC(C)(C)OC(=O)Nc1ccc(-c2nc(O)c3c(ncn3Cc3ccccc3)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.43
CYP17A1 P05093 3/20 0.42
MTOR P42345 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.41
MAPKAPK2 P49137 1/20 0.41
HPGD P15428 1/20 0.40
P2RX7 Q99572 1/20 0.40
CDK9 P50750 1/20 0.39
SLC2A1 P11166 1/20 0.39
BCL2 P10415 4/20 0.39
BECN1 Q14457 2/20 0.39
GLS O94925 1/20 0.39
ADORA2B P29275 1/20 0.39
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ADORA2A P29274 1/20 0.38
SCD O00767 1/20 0.38

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
SCHEMBL7984761 0.90 CYP17A1 (0.42) ADORA3CYP17A1HPGDP2RX7CDK9
SCHEMBL7974458 0.82 ADORA2A (0.44) ADORA3HPGDSLC2A1ADORA2BALDH1A1
SCHEMBL7984479 0.82 HPGD (0.52) CYP17A1PTGDR2MAPKAPK2HPGDP2RX7
SCHEMBL7975267 0.79 SMN1; SMN2 (0.46) ADORA3HPGDADORA2BALDH1A1SMN1; SMN2
SCHEMBL7988558 0.78 SMN1; SMN2 (0.43) ADORA3HPGDALDH1A1SMN1; SMN2ADORA2A
SCHEMBL7985225 0.78 GAA (0.48) ADORA3HPGDP2RX7ADORA2BALDH1A1
SCHEMBL7975133 0.78 ADORA2A (0.50) ADORA3HPGDALDH1A1SMN1; SMN2ADORA2A
SCHEMBL7991662 0.77 HPGD (0.41) HPGDP2RX7CDK9ALDH1A1SMN1; SMN2
SCHEMBL7984489 0.77 P2RX7 (0.45) CYP17A1PTGDR2MAPKAPK2HPGDP2RX7
SCHEMBL7974156 0.77 BRD4 (0.43) ADORA3HPGDSLC2A1ALDH1A1SMN1; 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