SCHEMBL7992270

SCHEMBL7992270

CC(C)(C)c1ccc(Cn2cnc3[nH]c(-c4cccc(F)c4)nc(=O)c32)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABCC8 Q09428 1/20 0.43
KCNJ11 Q14654 1/20 0.43
ICMT O60725 1/20 0.42
ACP1 P24666 1/20 0.41
TNKS O95271 1/20 0.41
PARP1 P09874 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
NR1H4 Q96RI1 4/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
PARN O95453 1/20 0.37
CNOT7 Q9UIV1 1/20 0.37
PDE2A O00408 1/20 0.37
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 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
SCHEMBL7988736 0.90 ACP1 (0.45) ACP1HDAC1HDAC6PARNCNOT7
SCHEMBL7988017 0.90 KDM4E (0.43) ABCC8KCNJ11HDAC1HDAC6GRIN1
SCHEMBL7985012 0.89 ABCC8 (0.43) ABCC8KCNJ11ACP1NR1H4HDAC1
SCHEMBL7991403 0.89 ABCC8 (0.43) ABCC8KCNJ11NR1H4PARNCNOT7
SCHEMBL7974471 0.89 ACP1 (0.43) ACP1HDAC1HDAC6PARNCNOT7
SCHEMBL7974282 0.89 ABCC8 (0.43) ABCC8KCNJ11NR1H4HDAC1HDAC6
SCHEMBL7987364 0.88 TNKS (0.46) ABCC8KCNJ11ACP1TNKSPARP1
SCHEMBL7974492 0.88 ABCC8 (0.47) ABCC8KCNJ11TNKSTNKS2NR1H4
SCHEMBL7987255 0.88 PARN (0.48) ACP1PARNCNOT7GRIN1GRIN2B
SCHEMBL7984474 0.88 ABCC8 (0.42) ABCC8KCNJ11NR1H4HDAC6PARN

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