SCHEMBL7974239

SCHEMBL7974239

CC(C)(C)c1ccc(Cn2cnc3[nH]c(-c4cccnc4)nc(=O)c32)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNOT7 Q9UIV1 3/20 0.45
ABCC8 Q09428 1/20 0.43
KCNJ11 Q14654 1/20 0.43
KIF11 P52732 1/20 0.41
KMT2A Q03164 1/20 0.38
PARN O95453 1/20 0.38
DHPS P49366 1/20 0.37
MAPT P10636 2/20 0.37
TP53 P04637 1/20 0.37
CLK1 P49759 1/20 0.37
DYRK1A Q13627 1/20 0.37
ALDH1A1 P00352 2/20 0.37
TSHR P16473 1/20 0.37
GNRHR P30968 1/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
NR1H4 Q96RI1 2/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 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
SCHEMBL7984771 0.89 CNOT7 (0.47) CNOT7KMT2APARNDHPSCLK1
SCHEMBL7974492 0.89 ABCC8 (0.47) CNOT7ABCC8KCNJ11KMT2APARN
SCHEMBL7984934 0.88 CNOT7 (0.47) CNOT7ABCC8KCNJ11KIF11PARN
SCHEMBL7974289 0.88 CNOT7 (0.53) CNOT7KMT2APARNDHPSCLK1
SCHEMBL7989422 0.87 CNOT7 (0.47) CNOT7KMT2APARNDHPSMAPT
SCHEMBL7991403 0.84 ABCC8 (0.43) CNOT7ABCC8KCNJ11PARNMAPT
SCHEMBL7985012 0.84 ABCC8 (0.43) CNOT7ABCC8KCNJ11PARNHDAC1
SCHEMBL7974236 0.84 ABCC8 (0.43) CNOT7ABCC8KCNJ11KIF11KMT2A
SCHEMBL7988524 0.84 ABCC8 (0.47) CNOT7ABCC8KCNJ11PARNGNRHR
SCHEMBL7992270 0.83 ABCC8 (0.43) CNOT7ABCC8KCNJ11PARNHDAC1

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