SCHEMBL7984471

SCHEMBL7984471

CNc1cccc(-c2nc(O)c3c(ncn3Cc3ccc(C(C)(C)C)cc3)n2)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 6/20 0.41
ABCC8 Q09428 1/20 0.39
KCNJ11 Q14654 1/20 0.39
EPHX2 P34913 1/20 0.36
BTK Q06187 3/20 0.35
NR1I2 O75469 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.34
EGLN3 Q9H6Z9 1/20 0.34
SYK P43405 1/20 0.34
SERPINE1 P05121 2/20 0.33
NLRP3 Q96P20 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
YTHDC1 Q96MU7 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 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
SCHEMBL7974547 0.89 HPGD (0.40) TRPM8ADORA3YTHDC1
SCHEMBL7984868 0.88 NR1H4 (0.42) NR1H4ABCC8KCNJ11EPHX2NR1I2
SCHEMBL7974277 0.88 NR1H4 (0.44) NR1H4ABCC8KCNJ11EGLN3SERPINE1
SCHEMBL7991400 0.87 NR1H4 (0.43) NR1H4ABCC8KCNJ11EPHX2TRPM8
SCHEMBL7985010 0.87 NR1H4 (0.43) NR1H4ABCC8KCNJ11EGLN3SERPINE1
SCHEMBL7992267 0.86 ICMT (0.44) NR1H4ABCC8KCNJ11EGLN3SERPINE1
SCHEMBL7974490 0.86 NR1H4 (0.47) NR1H4ABCC8KCNJ11NR1I2ADORA3
SCHEMBL7988016 0.85 HDAC1 (0.44) NR1H4ABCC8KCNJ11SERPINE1ADORA3
SCHEMBL7985597 0.85 SERPINE1 (0.46) NR1H4ABCC8KCNJ11SERPINE1
SCHEMBL7974237 0.81 KIF11 (0.42) NR1H4ABCC8KCNJ11NPC1

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