SCHEMBL8769047

SCHEMBL8769047

Cc1cn(CC(=O)O)c(=O)nc1N

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 2/20 0.44
POLB P06746 1/20 0.44
EP300 Q09472 4/20 0.43
GAA P10253 1/20 0.40
LMNA P02545 2/20 0.38
CSNK2A2 P19784 1/20 0.34
CSNK2A1 P68400 1/20 0.34
ADORA2B P29275 1/20 0.34
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
SCHEMBL18649675 0.81 EP300 (0.55) ALDH1A1KDM4EPOLBEP300KMT2A
SCHEMBL3357453 0.81 ALDH1A1 (0.45) ALDH1A1MAPTKDM4EPOLBEP300
SCHEMBL27707200 0.81 EP300 (0.42) EP300
SCHEMBL11718699 0.79 EP300 (0.43) ALDH1A1KDM4EEP300LMNAKMT2A
SCHEMBL27386736 0.76 ALDH1A1 (0.41) ALDH1A1MAPTKDM4EPOLBLMNA
SCHEMBL21546149 0.76 EP300 (0.44) ALDH1A1KDM4EEP300ADORA2B
SCHEMBL7874474 0.74 P2RX7 (0.37) ALDH1A1MAPTKDM4EPOLBGAA
SCHEMBL27696561 0.74 EP300 (0.36) EP300
SCHEMBL28402007 0.73 EP300 (0.37) ALDH1A1KDM4EEP300ADORA2BKMT2A
SCHEMBL7639805 0.73 KMT2A (0.55) ALDH1A1MAPTPOLBGAALMNA

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
EP-0792283-A1 SYNTHESIS OF PEPTIDE NUCLEIC ACIDS (PNAs) AND ANALOGUES VIA SUBMONOMER APPROACH CHIRON CORPORATION (US) 1997-09-03 EP disclosed
WO-1996015143-A1 SYNTHESIS OF PEPTIDE NUCLEIC ACIDS (PNAs) AND ANALOGUES VIA SUBMONOMER APPROACH CHIRON CORPORATION (US) 1996-05-23 WO disclosed