SCHEMBL8768509

SCHEMBL8768509

Cc1c2ncnc-2ncn1CC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.42
CSNK2A2 P19784 2/20 0.40
CSNK2A1 P68400 2/20 0.40
LMNA P02545 2/20 0.39
ADORA2B P29275 1/20 0.39
HDAC6 Q9UBN7 2/20 0.37
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
POLB P06746 3/20 0.36
MAPT P10636 1/20 0.36
FLT4 P35916 1/20 0.34
KDR P35968 1/20 0.34
EGFR P00533 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL3585680 0.71 CSNK2A2 (0.46) PTGS2CSNK2A2CSNK2A1LMNAADORA2B
SCHEMBL19396826 0.69 PTGS2 (0.47) PTGS2POLB
SCHEMBL17675513 0.68 PTGS2 (0.46) PTGS2POLB
SCHEMBL13031346 0.66 CSNK2A2 (0.41) PTGS2CSNK2A2CSNK2A1LMNAADORA2B
SCHEMBL8768263 0.65 CYP1A2 (0.59) CSNK2A2CSNK2A1LMNAADORA2BALDH1A1
SCHEMBL17675317 0.65 GRIN2B (0.43) PTGS2POLB
SCHEMBL3579547 0.65 CSNK2A2 (0.42) PTGS2CSNK2A2CSNK2A1LMNAADORA2B
SCHEMBL30193179 0.62 PLAA (0.60) LMNAALDH1A1POLBMAPT
SCHEMBL4560485 0.62 CSNK2A2 (0.55) PTGS2CSNK2A2CSNK2A1LMNAADORA2B
SCHEMBL7848634 0.62 PLAA (0.60) LMNAALDH1A1POLBMAPT

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