SCHEMBL7984728

SCHEMBL7984728

CN(C(=O)OC(C)(C)C)c1ccc(-c2nc(O)c3c(ncn3Cc3ccc(C(C)(C)C)cc3)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 7/20 0.41
PAX8 Q06710 1/20 0.39
ABCC8 Q09428 1/20 0.38
KCNJ11 Q14654 1/20 0.38
PTGES O14684 1/20 0.34
ALOX5 P09917 1/20 0.34
S1PR4 O95977 2/20 0.33
S1PR1 P21453 2/20 0.33
S1PR5 Q9H228 2/20 0.33
S1PR3 Q99500 1/20 0.33
RAB9A P51151 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
EGLN3 Q9H6Z9 1/20 0.32
EPHX2 P34913 1/20 0.32
KAT6A Q92794 1/20 0.32
KAT5 Q92993 1/20 0.32
KAT8 Q9H7Z6 1/20 0.32
NPC1 O15118 1/20 0.31

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
SCHEMBL7985478 0.91 PAX8 (0.45) NR1H4PAX8ALDH1A1
SCHEMBL7988794 0.90 NR1H4 (0.40) NR1H4PAX8ABCC8KCNJ11PTGES
SCHEMBL7984727 0.83 HPGD (0.40) NR1H4PAX8ABCC8KCNJ11KMT2A
SCHEMBL7974156 0.82 BRD4 (0.43) NR1H4PAX8KAT8ALDH1A1
SCHEMBL7988522 0.81 NR1H4 (0.44) NR1H4ABCC8KCNJ11S1PR4S1PR1
SCHEMBL7992285 0.81 ABCC8 (0.41) NR1H4ABCC8KCNJ11RAB9AMEN1
SCHEMBL7987361 0.80 MET (0.45) NR1H4ABCC8KCNJ11S1PR4S1PR1
SCHEMBL7974490 0.80 NR1H4 (0.47) NR1H4ABCC8KCNJ11PTGESALOX5
SCHEMBL7984932 0.79 ABCC8 (0.43) NR1H4ABCC8KCNJ11S1PR4S1PR1
SCHEMBL7984868 0.78 NR1H4 (0.42) NR1H4ABCC8KCNJ11S1PR4S1PR1

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