SCHEMBL8896757

SCHEMBL8896757

CC(C)C(=O)Nc1nc2c(ncn2[C@@]2(C(=O)c3ccccc3)C[C@H](O)[C@@H](CO)O2)c(=O)[nH]1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
PAX3 P23760 1/20 0.37
FOXO1 Q12778 1/20 0.37
POLA1 P09884 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
TK1 P04183 1/20 0.34
NOS1 P29475 1/20 0.33
MEN1 O00255 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL5360865 0.84 ADORA3 (0.42) TK1TSHR
SCHEMBL5354448 0.83 KDM4E (0.46) KDM4EPOLA1TAS1R3TAS1R1MEN1
SCHEMBL29479239 0.78 KDM4E (0.52) KDM4EPAX3FOXO1POLA1TAS1R3
SCHEMBL29479241 0.78 KDM4E (0.52) KDM4EPAX3FOXO1POLA1TAS1R3
SCHEMBL6365760 0.77 KDM4E (0.51) KDM4EPOLA1TAS1R3TAS1R1NOS1
SCHEMBL25968172 0.76 KDM4E (0.52) KDM4EPOLA1TAS1R3TAS1R1TK1
SCHEMBL7038608 0.76 POLA1 (0.36) KDM4EPOLA1TAS1R3TAS1R1TK1
SCHEMBL3636385 0.75 ADORA3 (0.44) TK1MEN1TSHRKMT2A
SCHEMBL11051437 0.75 KDM4E (0.45) KDM4EPOLA1TAS1R3TAS1R1TK1
SCHEMBL2952014 0.75 SLC28A1 (0.48) MEN1KMT2A

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