SCHEMBL9340939

SCHEMBL9340939

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

nearest known ligand 0.85

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.64
POLA1 P09884 1/20 0.53
TAS1R3 Q7RTX0 1/20 0.49
TAS1R1 Q7RTX1 1/20 0.49
POLB P06746 1/20 0.47
PNP P00491 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
HTT P42858 1/20 0.43
PDE4D Q08499 1/20 0.43
PDE3A Q14432 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
HIF1A Q16665 1/20 0.41
P2RY2 P41231 1/20 0.41
P2RY4 P51582 1/20 0.41
P2RY6 Q15077 1/20 0.41
TYMP P19971 1/20 0.41

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
SCHEMBL9340952 1.00 KDM4E (0.64) KDM4EPOLA1TAS1R3TAS1R1POLB
SCHEMBL25507075 0.92 KDM4E (0.72) KDM4EPOLA1TAS1R3TAS1R1PNP
SCHEMBL25504735 0.92 KDM4E (0.65) KDM4EPOLA1TAS1R3TAS1R1POLB
SCHEMBL10068104 0.92 KDM4E (0.72) KDM4EPOLA1TAS1R3TAS1R1PNP
SCHEMBL264545 0.92 KDM4E (0.72) KDM4EPOLA1TAS1R3TAS1R1PNP
SCHEMBL264546 0.92 KDM4E (0.72) KDM4EPOLA1TAS1R3TAS1R1PNP
SCHEMBL12714741 0.92 KDM4E (0.72) KDM4EPOLA1TAS1R3TAS1R1PNP
SCHEMBL20346237 0.92 KDM4E (0.72) KDM4EPOLA1TAS1R3TAS1R1PNP
SCHEMBL17676619 0.92 KDM4E (0.65) KDM4EPOLA1TAS1R3TAS1R1POLB
SCHEMBL6332162 0.91 KDM4E (0.64) KDM4EPOLA1TAS1R3TAS1R1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0270651-B1 NOVEL DEOXYRIBONUCLEOSIDE PHOSPHORAMIDITES AND THEIR USE FOR THE PREPARATION OF OLIGONUCLEOTIDES CALIFORNIA INST OF TECHN (US) 1994-06-15 EP disclosed
EP-0270651-A4 NOVEL DEOXYRIBONUCLEOSIDE PHOSPHORAMIDITES AND THEIR USE FOR THE PREPARATION OF OLIGONUCLEOTIDES. CALIFORNIA INST OF TECHN (US) 1989-03-29 EP disclosed
EP-0270651-A1 NOVEL DEOXYRIBONUCLEOSIDE PHOSPHORAMIDITES AND THEIR USE FOR THE PREPARATION OF OLIGONUCLEOTIDES. CALIFORNIA INST OF TECHN (US) 1988-06-15 EP disclosed
WO-1988000201-A1 NOVEL DEOXYRIBONUCLEOSIDE PHOSPHORAMIDITES AND THEIR USE FOR THE PREPARATION OF OLIGONUCLEOTIDES CALIFORNIA INSTITUTE OF TECHNOLOGY, INC. (US) 1988-01-14 WO disclosed