SCHEMBL7974277

SCHEMBL7974277

CC(C)(C)c1ccc(Cn2cnc3nc(-c4cccc(O)c4)nc(O)c32)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 5/20 0.44
ABCC8 Q09428 1/20 0.41
KCNJ11 Q14654 1/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
OPRD1 P41143 3/20 0.39
OPRM1 P35372 1/20 0.39
HSD17B13 Q7Z5P4 1/20 0.38
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
NLRP3 Q96P20 1/20 0.35
SERPINE1 P05121 2/20 0.35
ADORA3 P0DMS8 1/20 0.35
ADORA1 P30542 1/20 0.35
HTR7 P34969 1/20 0.35
HTR2B P41595 1/20 0.35
EGLN3 Q9H6Z9 1/20 0.34

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
SCHEMBL7985010 0.91 NR1H4 (0.43) NR1H4ABCC8KCNJ11HDAC1HDAC6
SCHEMBL7991400 0.91 NR1H4 (0.43) NR1H4ABCC8KCNJ11HSP90AA1HSP90AB1
SCHEMBL7992267 0.90 ICMT (0.44) NR1H4ABCC8KCNJ11HDAC1HDAC6
SCHEMBL7974490 0.89 NR1H4 (0.47) NR1H4ABCC8KCNJ11ADORA3
SCHEMBL7988016 0.89 HDAC1 (0.44) NR1H4ABCC8KCNJ11HDAC1HDAC6
SCHEMBL7985565 0.88 HDAC6 (0.40) HDAC1HDAC6HSD17B13ADORA3ADORA1
SCHEMBL7985597 0.88 SERPINE1 (0.46) NR1H4ABCC8KCNJ11HDAC1HDAC6
SCHEMBL7984471 0.88 NR1H4 (0.41) NR1H4ABCC8KCNJ11NLRP3SERPINE1
SCHEMBL7985336 0.87 PIK3CA (0.42) HDAC1HDAC6HSD17B13ADORA3ADORA1
SCHEMBL7985613 0.86 MET (0.46) HDAC1HDAC6HSD17B13ADORA3ADORA1

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