SCHEMBL7974237

SCHEMBL7974237

CC(C)(C)c1ccc(Cn2cnc3nc(-c4cccnc4)nc(O)c32)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.42
NR1H4 Q96RI1 5/20 0.41
ABCC8 Q09428 1/20 0.40
KCNJ11 Q14654 1/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
DHPS P49366 1/20 0.38
MAPT P10636 3/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MAP3K5 Q99683 1/20 0.37
TP53 P04637 1/20 0.36
NAMPT P43490 1/20 0.36
LHCGR P22888 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL7984769 0.89 CLK4 (0.44) HDAC1HDAC6DHPSMAPTLMNA
SCHEMBL7974490 0.88 NR1H4 (0.47) NR1H4ABCC8KCNJ11ALDH1A1TP53
SCHEMBL7984932 0.87 ABCC8 (0.43) KIF11NR1H4ABCC8KCNJ11HDAC6
SCHEMBL7974286 0.87 DHPS (0.49) DHPSMAPTLMNAALDH1A1TP53
SCHEMBL7989420 0.86 MET (0.45) HDAC1HDAC6DHPSMAPTLMNA
SCHEMBL7974277 0.84 NR1H4 (0.44) NR1H4ABCC8KCNJ11HDAC1HDAC6
SCHEMBL7991400 0.84 NR1H4 (0.43) NR1H4ABCC8KCNJ11MAPTLMNA
SCHEMBL7985010 0.84 NR1H4 (0.43) NR1H4ABCC8KCNJ11HDAC1HDAC6
SCHEMBL7988522 0.83 NR1H4 (0.44) NR1H4ABCC8KCNJ11MAPTLMNA
SCHEMBL7992267 0.83 ICMT (0.44) NR1H4ABCC8KCNJ11HDAC1HDAC6

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