SCHEMBL7984871

SCHEMBL7984871

CNc1ccc(-c2nc(=O)c3c(ncn3Cc3ccc(C(C)(C)C)cc3)[nH]2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC8 Q09428 1/20 0.45
KCNJ11 Q14654 1/20 0.45
NR1H4 Q96RI1 4/20 0.37
CNOT7 Q9UIV1 2/20 0.36
PARN O95453 1/20 0.36
GNRHR P30968 3/20 0.36
TNKS O95271 2/20 0.36
TNKS2 Q9H2K2 2/20 0.36
NR1I2 O75469 1/20 0.36
PARP1 P09874 1/20 0.36
HDAC6 Q9UBN7 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
METAP2 P50579 1/20 0.33

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
SCHEMBL7988524 0.90 ABCC8 (0.47) ABCC8KCNJ11NR1H4CNOT7PARN
SCHEMBL7987364 0.89 TNKS (0.46) ABCC8KCNJ11NR1H4CNOT7PARN
SCHEMBL7974492 0.89 ABCC8 (0.47) ABCC8KCNJ11NR1H4CNOT7PARN
SCHEMBL7984474 0.88 ABCC8 (0.42) ABCC8KCNJ11NR1H4CNOT7PARN
SCHEMBL7984934 0.88 CNOT7 (0.47) ABCC8KCNJ11NR1H4CNOT7PARN
SCHEMBL7974461 0.87 CNOT7 (0.49) CNOT7PARNALDH1A1
SCHEMBL7984864 0.85 ABCC8 (0.44) ABCC8KCNJ11NR1H4GNRHRTNKS
SCHEMBL7985012 0.82 ABCC8 (0.43) ABCC8KCNJ11NR1H4CNOT7PARN
SCHEMBL7991403 0.82 ABCC8 (0.43) ABCC8KCNJ11NR1H4CNOT7PARN
SCHEMBL7974239 0.82 CNOT7 (0.45) ABCC8KCNJ11NR1H4CNOT7PARN

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