SCHEMBL7987359

SCHEMBL7987359

CC(C)(C)c1ccc(Cn2cnc3nc(-c4ccc(F)cc4)[nH]c(=O)c32)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TNKS O95271 7/20 0.48
TNKS2 Q9H2K2 7/20 0.48
PARP1 P09874 5/20 0.48
ABCC8 Q09428 1/20 0.46
KCNJ11 Q14654 1/20 0.46
HPGD P15428 1/20 0.42
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KMT2A Q03164 1/20 0.41
MET P08581 2/20 0.39
RIPK3 Q9Y572 1/20 0.39
NR1H4 Q96RI1 2/20 0.38
PARP2 Q9UGN5 1/20 0.38
PARP3 Q9Y6F1 1/20 0.38

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
SCHEMBL7984279 0.91 SMN1; SMN2 (0.47) TNKSTNKS2PARP1HPGDALDH1A1
SCHEMBL7988517 0.91 ABCC8 (0.47) TNKSTNKS2PARP1ABCC8KCNJ11
SCHEMBL7974486 0.89 SMN1; SMN2 (0.50) TNKSTNKS2PARP1ABCC8KCNJ11
SCHEMBL7984930 0.88 ABCC8 (0.47) TNKSTNKS2PARP1ABCC8KCNJ11
SCHEMBL7985164 0.88 KMT2A (0.46) TNKSTNKS2PARP1HPGDALDH1A1
SCHEMBL7992261 0.88 TNKS (0.43) TNKSTNKS2PARP1ABCC8KCNJ11
SCHEMBL7984864 0.88 ABCC8 (0.44) TNKSTNKS2PARP1ABCC8KCNJ11
SCHEMBL7986518 0.86 SMN1; SMN2 (0.53) TNKSTNKS2HPGDALDH1A1SMN1; SMN2
SCHEMBL7974505 0.86 SMN1; SMN2 (0.55) TNKSTNKS2HPGDALDH1A1SMN1; SMN2
SCHEMBL7985270 0.85 ALDH1A1 (0.44) HPGDALDH1A1SMN1; SMN2KMT2AMET

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