SCHEMBL7974490

SCHEMBL7974490

CC(C)(C)c1ccc(Cn2cnc3nc(-c4ccccc4)nc(O)c32)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 5/20 0.47
ABCC8 Q09428 1/20 0.44
KCNJ11 Q14654 1/20 0.44
ADORA3 P0DMS8 1/20 0.39
CYP19A1 P11511 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
ALDH1A1 P00352 1/20 0.38
ADORA2A P29274 1/20 0.38
TP53 P04637 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PTGES O14684 1/20 0.37
ALOX5 P09917 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
NR1I2 O75469 1/20 0.37
ADORA2B P29275 1/20 0.36
RXFP1 Q9HBX9 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
SCHEMBL7988522 0.90 NR1H4 (0.44) NR1H4ABCC8KCNJ11ALDH1A1ADORA2A
SCHEMBL7984932 0.90 ABCC8 (0.43) NR1H4ABCC8KCNJ11ADORA3CYP19A1
SCHEMBL7974277 0.89 NR1H4 (0.44) NR1H4ABCC8KCNJ11ADORA3
SCHEMBL7987361 0.89 MET (0.45) NR1H4ABCC8KCNJ11
SCHEMBL7987950 0.89 ADORA3 (0.49) ADORA3ABCG2SMN1; SMN2ALDH1A1ADORA2A
SCHEMBL7991400 0.88 NR1H4 (0.43) NR1H4ABCC8KCNJ11HPGDALDH1A1
SCHEMBL7985010 0.88 NR1H4 (0.43) NR1H4ABCC8KCNJ11SMN1; SMN2
SCHEMBL7974237 0.88 KIF11 (0.42) NR1H4ABCC8KCNJ11CYP19A1ABCG2
SCHEMBL7975267 0.88 SMN1; SMN2 (0.46) ADORA3HPGDSMN1; SMN2ALDH1A1ADORA2A
SCHEMBL8056959 0.88 NR1H4 (0.39) NR1H4ABCC8KCNJ11ADORA3HPGD

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