SCHEMBL7984868

SCHEMBL7984868

CNc1ccc(-c2nc(O)c3c(ncn3Cc3ccc(C(C)(C)C)cc3)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 6/20 0.42
ABCC8 Q09428 1/20 0.41
KCNJ11 Q14654 1/20 0.41
EPHX2 P34913 1/20 0.38
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
NR1I2 O75469 1/20 0.35
S1PR4 O95977 2/20 0.34
S1PR1 P21453 2/20 0.34
S1PR5 Q9H228 2/20 0.34
YTHDC1 Q96MU7 1/20 0.34
S1PR3 Q99500 1/20 0.34
RAB9A P51151 2/20 0.33
ADORA2A P29274 1/20 0.33
NPC1 O15118 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
MET P08581 1/20 0.33
EGLN3 Q9H6Z9 1/20 0.33
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL7988522 0.88 NR1H4 (0.44) NR1H4ABCC8KCNJ11EPHX2HSP90AA1
SCHEMBL7984471 0.88 NR1H4 (0.41) NR1H4ABCC8KCNJ11EPHX2ADORA3
SCHEMBL7987361 0.87 MET (0.45) NR1H4ABCC8KCNJ11HSP90AA1HSP90AB1
SCHEMBL7974490 0.87 NR1H4 (0.47) NR1H4ABCC8KCNJ11ADORA3NR1I2
SCHEMBL7974458 0.87 ADORA2A (0.44) ADORA3YTHDC1ADORA2AALDH1A1
SCHEMBL7984932 0.86 ABCC8 (0.43) NR1H4ABCC8KCNJ11EPHX2HSP90AA1
SCHEMBL7974277 0.81 NR1H4 (0.44) NR1H4ABCC8KCNJ11HSP90AA1HSP90AB1
SCHEMBL7991400 0.80 NR1H4 (0.43) NR1H4ABCC8KCNJ11EPHX2HSP90AA1
SCHEMBL7985010 0.80 NR1H4 (0.43) NR1H4ABCC8KCNJ11EGLN3
SCHEMBL7974237 0.80 KIF11 (0.42) NR1H4ABCC8KCNJ11NPC1ABCG2

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