SCHEMBL8768486

SCHEMBL8768486

Cn1cnc(=N)c2ncn(CC(=O)O)c21

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.55
CSNK2A2 P19784 3/20 0.45
CSNK2A1 P68400 3/20 0.45
ADORA2B P29275 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PTGS2 P35354 2/20 0.38
HDAC6 Q9UBN7 2/20 0.37
EGLN1 Q9GZT9 1/20 0.35
HTT P42858 1/20 0.33
POLB P06746 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
SCHEMBL15756849 0.76 ACP1 (0.48) LMNAADORA2BHTT
SCHEMBL10888835 0.71 LMNA (1.00) LMNAADORA2BALDH1A1KDM4ETDP1
SCHEMBL4560485 0.68 CSNK2A2 (0.55) LMNACSNK2A2CSNK2A1ADORA2BALDH1A1
SCHEMBL18704122 0.67 ADORA2B (0.52) LMNACSNK2A2CSNK2A1ADORA2BHDAC6
Hydrochloric Acid SCHEMBL18742217 0.66 ADORA2B (0.51) LMNACSNK2A2CSNK2A1ADORA2BHDAC6
SCHEMBL18742219 0.63 LMNA (0.51) LMNACSNK2A2CSNK2A1ADORA2BALDH1A1
SCHEMBL15493532 0.62 CSNK2A1 (1.00) LMNACSNK2A2CSNK2A1ADORA2BALDH1A1
SCHEMBL29965130 0.62 CSNK2A2 (0.51) LMNACSNK2A2CSNK2A1ADORA2BALDH1A1
Hydrochloric Acid SCHEMBL18742227 0.62 LMNA (0.50) LMNACSNK2A2CSNK2A1ADORA2BALDH1A1
SCHEMBL4735463 0.62 CDK1 (0.49) LMNACSNK2A2CSNK2A1ADORA2BALDH1A1

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