SCHEMBL7985010

SCHEMBL7985010

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

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 5/20 0.43
ABCC8 Q09428 1/20 0.40
KCNJ11 Q14654 1/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
GLA P06280 1/20 0.39
HTT P42858 1/20 0.39
UBE2N P61088 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CNR2 P34972 4/20 0.37
PDE4B Q07343 4/20 0.37
PDE4D Q08499 1/20 0.36
EGLN3 Q9H6Z9 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
PTGER2 P43116 1/20 0.35
CCR9 P51686 1/20 0.35
SERPINE1 P05121 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
SCHEMBL7974277 0.91 NR1H4 (0.44) NR1H4ABCC8KCNJ11HDAC1HDAC6
SCHEMBL7991400 0.90 NR1H4 (0.43) NR1H4ABCC8KCNJ11EGLN3SERPINE1
SCHEMBL7992267 0.89 ICMT (0.44) NR1H4ABCC8KCNJ11HDAC1HDAC6
SCHEMBL7991597 0.89 PDE4B (0.39) HDAC1HDAC6GLAHTTUBE2N
SCHEMBL7974490 0.88 NR1H4 (0.47) NR1H4ABCC8KCNJ11SMN1; SMN2
SCHEMBL7988016 0.88 HDAC1 (0.44) NR1H4ABCC8KCNJ11HDAC1HDAC6
SCHEMBL7985597 0.87 SERPINE1 (0.46) NR1H4ABCC8KCNJ11HDAC1HDAC6
SCHEMBL7984471 0.87 NR1H4 (0.41) NR1H4ABCC8KCNJ11EGLN3SERPINE1
SCHEMBL7973626 0.87 SMN1; SMN2 (0.45) HDAC1HDAC6GLAHTTUBE2N
SCHEMBL7974012 0.87 ALDH1A1 (0.41) HDAC1HDAC6GLAHTTUBE2N

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