SCHEMBL6899599

SCHEMBL6899599

CC(Nc1nc(OC(=O)N(c2ccccc2)c2ccccc2)c2ncn([C@H]3C[C@H](O)[C@@H](CO)O3)c2n1)c1cn(C(=O)N(c2ccccc2)c2ccccc2)cn1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.40
ADORA1 P30542 1/20 0.40
PNP P00491 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
HTT P42858 1/20 0.39
PDE4D Q08499 1/20 0.39
PDE3A Q14432 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
ADORA2A P29274 1/20 0.38
HIF1A Q16665 1/20 0.38
POLA1 P09884 1/20 0.37

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
SCHEMBL6894698 0.87 TYMP (0.45) ADORA3ADORA1ADORA2A
SCHEMBL8972045 0.85 KDM4E (0.44) ADORA3ADORA1PNPLMNATP53
SCHEMBL7054361 0.75 TYMP (0.33)
SCHEMBL18844546 0.75 KDM4E (0.48) ADORA3ADORA1ADORA2A
SCHEMBL8972094 0.75 TYMP (0.38) ADORA3ADORA1PNPLMNATP53
SCHEMBL18462900 0.74 KDM4E (0.46) ADORA3ADORA1ADORA2A
SCHEMBL29776895 0.74 KDM4E (0.46) ADORA3ADORA1ADORA2A
SCHEMBL14985923 0.74 KDM4E (0.46) ADORA3ADORA1ADORA2A
SCHEMBL17676618 0.74 KDM4E (0.46) ADORA3ADORA1ADORA2A
SCHEMBL17943450 0.74 KDM4E (0.46) ADORA3ADORA1ADORA2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0604409-B1 OLIGONUCLEOTIDE ANALOGS FOR DETECTING AND MODULATING RNA ACTIVITY AND GENE EXPRESSION ISIS PHARMACEUTICALS INC (US) 2004-07-14 EP disclosed
EP-1418179-A2 Compositions and methods for detecting and modulating rna activity and gene expression ISIS PHARMACEUTICALS, INC. (US) 2004-05-12 EP disclosed
US-6262241-B1 ANTISENSE COMPOUNDS WHICH CLEAVE PHOSPHORODIESTER BONDS AND IMPROVE PHARMACODYNAMIC AND PHARMACOKINETIC PROPERTIES OF OLIGONUCLEOTIDES, USEFUL IN DIAGNOSING DISEASES ISIS PHARMACEUTICALS, INC. 2001-07-17 US disclosed