SCHEMBL7974156

SCHEMBL7974156

CN(C(=O)OC(C)(C)C)c1cccc(-c2nc(O)c3c(ncn3Cc3ccccc3)n2)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.43
GAA P10253 1/20 0.38
MCL1 Q07820 1/20 0.38
PAX8 Q06710 1/20 0.37
HPGD P15428 1/20 0.36
HTR2C P28335 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC16A3 O15427 1/20 0.34
SLC16A1 P53985 1/20 0.34
MCTS1 Q9ULC4 1/20 0.34
KAT8 Q9H7Z6 1/20 0.34
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
F2RL3 Q96RI0 1/20 0.34
NR1H4 Q96RI1 2/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
SLC2A1 P11166 1/20 0.33
ADORA3 P0DMS8 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
SCHEMBL7988794 0.93 NR1H4 (0.40) BRD4MCL1PAX8KAT8NR1H4
SCHEMBL7985478 0.90 PAX8 (0.45) GAAMCL1PAX8HPGDHTR2C
SCHEMBL7974152 0.83 HPGD (0.47) BRD4GAAMCL1PAX8HPGD
SCHEMBL7984761 0.82 CYP17A1 (0.42) BRD4GAAHPGDADORA3
SCHEMBL7984728 0.82 NR1H4 (0.41) PAX8KAT8ALDH1A1NR1H4
SCHEMBL7985457 0.78 HTR2C (0.46) GAAMCL1HPGDHTR2CSLC6A4
SCHEMBL7974157 0.78 BRD4 (0.44) BRD4MCL1PAX8HPGDHTR2C
SCHEMBL7974177 0.77 MCL1 (0.41) GAAMCL1HPGDHTR2CSLC6A4
SCHEMBL7988594 0.77 TP53 (0.44) GAAHPGDALDH1A1SMN1; SMN2
SCHEMBL7985336 0.77 PIK3CA (0.42) GAAHPGDALDH1A1SMN1; SMN2ADORA3

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