SCHEMBL8896723

SCHEMBL8896723

CC(C)C(=O)Nc1nc2c(ncn2[C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1C(=O)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.51
KDM4E B2RXH2 1/20 0.46
ADORA3 P0DMS8 1/20 0.45
ADORA1 P30542 1/20 0.45
PNP P00491 1/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
HTT P42858 1/20 0.45
PDE4D Q08499 1/20 0.45
PDE3A Q14432 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
POLA1 P09884 1/20 0.44
HIF1A Q16665 1/20 0.43

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
SCHEMBL8584058 0.89 KDM4E (0.50) KDM4EPNPLMNATP53HTT
SCHEMBL5360845 0.83 CYP1A2 (0.71) CYP1A2ADORA3ADORA1PNPLMNA
SCHEMBL9703337 0.79 POLA1 (0.49) KDM4EPNPLMNATP53HTT
SCHEMBL12714741 0.76 KDM4E (0.72) KDM4EPNPLMNATP53HTT
SCHEMBL25507075 0.76 KDM4E (0.72) KDM4EPNPLMNATP53HTT
SCHEMBL20346237 0.76 KDM4E (0.72) KDM4EPNPLMNATP53HTT
SCHEMBL10068104 0.76 KDM4E (0.72) KDM4EPNPLMNATP53HTT
SCHEMBL264546 0.76 KDM4E (0.72) KDM4EPNPLMNATP53HTT
SCHEMBL264545 0.76 KDM4E (0.72) KDM4EPNPLMNATP53HTT
SCHEMBL1612645 0.76 PNP (0.56) CYP1A2PNPLMNATP53HTT

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-0754242-A4 OLIGONUCLEOTIDE N3'-m(7)P5' PHOSPHORAMIDATES: SYNTHESIS AND COMPOUNDS; HYBRIDIZATION AND NUCLEASE RESISTANCE PROPERTIES LYNX THERAPEUTICS INC (US) 1997-06-11 EP disclosed
EP-0754242-A1 OLIGONUCLEOTIDE N3'$m(7)P5' PHOSPHORAMIDATES: SYNTHESIS AND COMPOUNDS; HYBRIDIZATION AND NUCLEASE RESISTANCE PROPERTIES LYNX THERAPEUTICS, INC. (US) 1997-01-22 EP disclosed
WO-1995025814-A1 OLIGONUCLEOTIDE N3'→P5' PHOSPHORAMIDATES: SYNTHESIS AND COMPOUNDS; HYBRIDIZATION AND NUCLEASE RESISTANCE PROPERTIES LYNX THERAPEUTICS, INC. (US) 1995-09-28 WO disclosed