SCHEMBL7988254

SCHEMBL7988254

CCCCn1cnc2[nH]c(-c3ccccc3)nc(=O)c21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 5/20 0.50
ALDH1A1 P00352 5/20 0.44
HPGD P15428 3/20 0.44
CNOT7 Q9UIV1 3/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ADORA2A P29274 4/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 3/20 0.43
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
PDE5A O76074 1/20 0.42
CYP1A2 P05177 1/20 0.42

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
SCHEMBL7985382 0.96 ADORA2B (0.46) ADORA2BALDH1A1HPGDCNOT7NPC1
SCHEMBL7974067 0.95 ADORA2B (0.46) ADORA2BALDH1A1HPGDCNOT7NPC1
SCHEMBL7985002 0.93 ADORA2B (0.48) ADORA2BALDH1A1CNOT7ADORA2AMEN1
SCHEMBL7988495 0.87 ADORA2B (0.46) ADORA2BALDH1A1HPGDCNOT7NPC1
SCHEMBL7984244 0.87 CNOT7 (0.60) ADORA2BALDH1A1CNOT7RAB9AADORA2A
SCHEMBL7974620 0.84 CNOT7 (0.58) ADORA2BALDH1A1CNOT7ADORA2AKDM4E
SCHEMBL7985287 0.83 CNOT7 (0.40) ADORA2BALDH1A1HPGDCNOT7NPC1
SCHEMBL7984499 0.81 ADORA2A (0.43) ADORA2BALDH1A1CNOT7NPSR1ADORA2A
SCHEMBL7985786 0.81 CNOT7 (0.43) ADORA2BALDH1A1CNOT7ADORA2AMEN1
SCHEMBL7975271 0.81 CNOT7 (0.56) ADORA2BALDH1A1HPGDCNOT7KMT2A

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