SCHEMBL9667342

SCHEMBL9667342

CCCCCNc1c(N)nc[nH]c1=O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
XDH P47989 3/20 0.49
KDM4E B2RXH2 4/20 0.40
GAA P10253 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GPR84 Q9NQS5 6/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
PDE4A P27815 1/20 0.37
ADORA2A P29274 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
ADORA2B P29275 1/20 0.37

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
SCHEMBL9669758 0.83 XDH (0.50) XDHGPR84LMNA
SCHEMBL9667337 0.75 XDH (0.50) XDHKDM4EALDH1A1LMNA
SCHEMBL5564893 0.74 DNM2 (0.47) XDHALDH1A1LMNAADORA2A
SCHEMBL17845811 0.70 NPC1 (0.40) MEN1KMT2AGPR84
SCHEMBL4442003 0.70 XDH (0.46) XDHKDM4EGAAMEN1KMT2A
SCHEMBL5996030 0.70 GRIN2D (0.58) KDM4EGAAMEN1KMT2AGPR84
SCHEMBL24846526 0.69 GPR84 (0.50) XDHGPR84
SCHEMBL11035691 0.69 DNM2 (0.40) GPR84ALDH1A1LMNAADORA2A
SCHEMBL24937838 0.68 GRIN2D (0.56) KDM4EGAAMEN1KMT2AGPR84
SCHEMBL11901381 0.68 GDA (0.44) KDM4EGAAKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0467207-A2 Purinderivate F. HOFFMANN-LA ROCHE AG (CH) 1992-01-22 EP disclosed