SCHEMBL7987364

SCHEMBL7987364

CC(C)(C)c1ccc(Cn2cnc3[nH]c(-c4ccc(F)cc4)nc(=O)c32)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TNKS O95271 3/20 0.46
TNKS2 Q9H2K2 3/20 0.46
PARP1 P09874 2/20 0.46
ABCC8 Q09428 1/20 0.46
KCNJ11 Q14654 1/20 0.46
RIPK3 Q9Y572 1/20 0.41
CACNA1H O95180 1/20 0.39
MAPK14 Q16539 2/20 0.38
NR1H4 Q96RI1 2/20 0.38
CNOT7 Q9UIV1 2/20 0.37
PARN O95453 1/20 0.37
GNRHR P30968 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ACP1 P24666 1/20 0.36
CYP11B2 P19099 1/20 0.36
HTT P42858 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
SCHEMBL7984283 0.91 CNOT7 (0.43) CNOT7PARNKDM4EALDH1A1ACP1
SCHEMBL7988524 0.91 ABCC8 (0.47) TNKSTNKS2PARP1ABCC8KCNJ11
SCHEMBL7974492 0.89 ABCC8 (0.47) TNKSTNKS2ABCC8KCNJ11NR1H4
SCHEMBL7984871 0.89 ABCC8 (0.45) TNKSTNKS2PARP1ABCC8KCNJ11
SCHEMBL7984934 0.88 CNOT7 (0.47) TNKSTNKS2PARP1ABCC8KCNJ11
SCHEMBL7985168 0.88 KMT2A (0.46) RIPK3MAPK14CNOT7PARNKDM4E
SCHEMBL7992270 0.88 ABCC8 (0.43) TNKSTNKS2PARP1ABCC8KCNJ11
SCHEMBL7986522 0.86 CNOT7 (0.48) TNKSTNKS2CNOT7PARNKDM4E
SCHEMBL7974508 0.86 CNOT7 (0.51) TNKSTNKS2CNOT7PARNKDM4E
SCHEMBL7985279 0.85 CNOT7 (0.49) MAPK14CNOT7PARNKDM4EHTT

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