SCHEMBL7974065

SCHEMBL7974065

CCCCCCn1cnc2nc(-c3ccccc3)nc(O)c21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 4/20 0.43
NPC1 O15118 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CNOT7 Q9UIV1 4/20 0.40
NR1H3 Q13133 1/20 0.39
CNR2 P34972 4/20 0.38
HTT P42858 1/20 0.38
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CNR1 P21554 1/20 0.37
MAPT P10636 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
GLO1 Q04760 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
SCHEMBL7985379 0.99 TLR8 (0.44) TLR8NPC1ALDH1A1HPGDRAB9A
SCHEMBL7988251 0.95 NR1H3 (0.43) TLR8NPC1ALDH1A1HPGDRAB9A
SCHEMBL7985000 0.90 ADORA2A (0.40) NR1H3CNR2ADORA3ADORA2A
SCHEMBL7988491 0.84 ADORA2A (0.38) NPC1ALDH1A1RAB9AKDM4ESMN1; SMN2
SCHEMBL7984242 0.84 CNOT7 (0.45) ALDH1A1KDM4ECNOT7HTTADORA3
SCHEMBL7974615 0.81 ADORA2A (0.44) ALDH1A1CNOT7HTTADORA3ADORA2A
SCHEMBL7984498 0.79 TLR7 (0.44) ALDH1A1HPGDSMN1; SMN2NPSR1ADORA3
SCHEMBL7975267 0.78 SMN1; SMN2 (0.46) ALDH1A1HPGDSMN1; SMN2CNOT7NR1H3
SCHEMBL7985784 0.78 LMNA (0.40) ALDH1A1HPGDADORA2A
SCHEMBL7985284 0.78 TLR4 (0.35) TLR8NPC1ALDH1A1HPGDRAB9A

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