SCHEMBL9020532

SCHEMBL9020532

O=CNc1nc2[nH]cnc2c(=O)[nH]1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TYMS P04818 1/20 0.39
PNP P00491 1/20 0.37
GDA Q9Y2T3 2/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
GLA P06280 1/20 0.33
PMP22 Q01453 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ACHE P22303 1/20 0.33
XDH P47989 3/20 0.32
PDPK1 O15530 1/20 0.30

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
SCHEMBL20819522 0.80 XDH (0.38) PNPGDAKDM4EALDH1A1LMNA
SCHEMBL14260671 0.79 GDA (0.39) PNPGDAKDM4EALDH1A1LMNA
SCHEMBL28969 0.79 PDPK1 (0.41) TYMSPNPGDAKDM4EALDH1A1
SCHEMBL1901598 0.75 GDA (0.60) PNPGDAXDH
SCHEMBL5062459 0.75 XDH (0.46) PNPGDAKDM4EALDH1A1XDH
SCHEMBL27496340 0.75 GDA (0.36) PNPGDAKDM4EALDH1A1LMNA
SCHEMBL10047094 0.75 XDH (0.40) PNPGDAKDM4EALDH1A1LMNA
SCHEMBL5021600 0.75 PIM1 (0.38) PNPGDAKDM4EALDH1A1XDH
SCHEMBL732552 0.75 KDM4E (0.51) PNPGDAKDM4EALDH1A1LMNA
Lithium SCHEMBL30870625 0.74 GDA (0.58) PNPGDAXDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0717744-A1 A PROCESS FOR THE PREPARATION OF 9-(2-HYDROXY)-ETHOXYMETHYL-GUANINE RECORDATI CHEM PHARM (CH) 1996-06-26 EP claimed
WO-1995007281-A1 A PROCESS FOR THE PREPARATION OF 9-(2-HYDROXY)-ETHOXYMETHYL-GUANINE RECORDATI S.A. CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 1995-03-16 WO claimed
EP-0717744-A1 A PROCESS FOR THE PREPARATION OF 9-(2-HYDROXY)-ETHOXYMETHYL-GUANINE RECORDATI CHEM PHARM (CH) 1996-06-26 EP disclosed
WO-1995007281-A1 A PROCESS FOR THE PREPARATION OF 9-(2-HYDROXY)-ETHOXYMETHYL-GUANINE RECORDATI S.A. CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 1995-03-16 WO disclosed
WO-1995007281-A1 A PROCESS FOR THE PREPARATION OF 9-(2-HYDROXY)-ETHOXYMETHYL-GUANINE RECORDATI S.A. CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 1995-03-16 WO disclosed