SCHEMBL7987361

SCHEMBL7987361

CC(C)(C)c1ccc(Cn2cnc3nc(-c4ccc(F)cc4)nc(O)c32)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MET P08581 2/20 0.45
NR1H4 Q96RI1 5/20 0.43
ABCC8 Q09428 1/20 0.42
KCNJ11 Q14654 1/20 0.42
CACNA1H O95180 1/20 0.38
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
MAPK14 Q16539 1/20 0.35
S1PR4 O95977 2/20 0.35
S1PR1 P21453 2/20 0.35
S1PR5 Q9H228 2/20 0.35
MAPT P10636 2/20 0.35
S1PR3 Q99500 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL7984281 0.91 MET (0.52) METHDAC1HDAC6MAPK14
SCHEMBL7988522 0.90 NR1H4 (0.44) METNR1H4ABCC8KCNJ11HSP90AA1
SCHEMBL7974490 0.89 NR1H4 (0.47) NR1H4ABCC8KCNJ11
SCHEMBL7984932 0.88 ABCC8 (0.43) METNR1H4ABCC8KCNJ11HSP90AA1
SCHEMBL7985165 0.88 MET (0.47) METHDAC1HDAC6MAPK14MAPT
SCHEMBL7992267 0.88 ICMT (0.44) METNR1H4ABCC8KCNJ11HDAC1
SCHEMBL7984868 0.87 NR1H4 (0.42) METNR1H4ABCC8KCNJ11HSP90AA1
SCHEMBL7974507 0.85 MET (0.46) MET
SCHEMBL7986521 0.85 CYP11B1 (0.47) METMAPTNPC1RAB9A
SCHEMBL7985275 0.84 MET (0.46) METHDAC6MAPK14

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