SCHEMBL7985478

SCHEMBL7985478

CN(C(=O)OC(C)(C)C)c1ccc(-c2nc(O)c3c(ncn3Cc3ccccc3)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.45
HPGD P15428 1/20 0.38
MCL1 Q07820 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.35
HTR2C P28335 1/20 0.35
SLC6A4 P31645 1/20 0.35
NR1H4 Q96RI1 2/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
SLC2A1 P11166 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
AGTR1 P30556 1/20 0.33
AGTR2 P50052 1/20 0.33

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
SCHEMBL7984728 0.91 NR1H4 (0.41) PAX8ALDH1A1NR1H4
SCHEMBL7974156 0.90 BRD4 (0.43) PAX8HPGDMCL1SMN1; SMN2ALDH1A1
SCHEMBL7988794 0.83 NR1H4 (0.40) PAX8MCL1NR1H4
SCHEMBL7984487 0.83 ADORA3 (0.43) HPGDSMN1; SMN2ALDH1A1SLC2A1ADORA3
SCHEMBL7985473 0.82 HPGD (0.49) PAX8HPGDMCL1SMN1; SMN2ALDH1A1
SCHEMBL7985457 0.80 HTR2C (0.46) HPGDMCL1SMN1; SMN2ALDH1A1GAA
SCHEMBL7975267 0.79 SMN1; SMN2 (0.46) HPGDSMN1; SMN2ALDH1A1GAAADORA3
SCHEMBL7974025 0.78 HTR2C (0.39) HPGDMCL1SMN1; SMN2ALDH1A1GAA
SCHEMBL7988917 0.78 HTR2C (0.40) HPGDMCL1SMN1; SMN2ALDH1A1GAA
SCHEMBL7988558 0.78 SMN1; SMN2 (0.43) HPGDSMN1; SMN2ALDH1A1GAAADORA3

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