SCHEMBL9726148

SCHEMBL9726148

CCCCCCCCCCCCn1c(N)c(N)c(=O)n(C)c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 2/20 0.47
LMNA P02545 3/20 0.44
CCR6 P51684 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
ADORA2A P29274 3/20 0.43
PDE4A P27815 2/20 0.43
PDE4B Q07343 2/20 0.43
PDE4C Q08493 2/20 0.43
PDE4D Q08499 2/20 0.43
ADORA2B P29275 1/20 0.43
MAPK1 P28482 3/20 0.43
TSHR P16473 1/20 0.43
NR2F2 P24468 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PTGS1 P23219 3/20 0.42
PTGS2 P35354 3/20 0.42
MGLL Q99685 2/20 0.42
FAAH O00519 1/20 0.42
NPSR1 Q6W5P4 2/20 0.39

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
SCHEMBL4810587 1.00 TNF (0.47) TNFLMNACCR6L3MBTL1ADORA2A
SCHEMBL4254776 0.93 CCR6 (0.49) TNFLMNACCR6L3MBTL1ADORA2A
SCHEMBL7321782 0.85 ADORA2A (0.46) LMNAL3MBTL1ADORA2APDE4APDE4B
SCHEMBL5687930 0.83 PDE4A (0.47) TNFLMNAADORA2APDE4APDE4B
SCHEMBL4251917 0.80 PDE4A (0.46) LMNACCR6L3MBTL1ADORA2APDE4A
SCHEMBL4255826 0.79 CASP6 (0.46) TNFLMNACCR6L3MBTL1ADORA2A
SCHEMBL8175084 0.77 ADORA2A (0.48) TNFLMNACCR6L3MBTL1ADORA2A
SCHEMBL4811164 0.73 ALDH1A1 (0.60) LMNAL3MBTL1PDE4APDE4BPDE4C
SCHEMBL4963710 0.72 MGLL (0.52) TNFLMNAADORA2BMAPK1TSHR
SCHEMBL11840543 0.72 MGLL (0.52) TNFLMNAADORA2BMAPK1TSHR

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
JP-4217672-A None JP disclosed
JP-H04217672-A 2,4-PYRIMIDINEDIONE DERIVATIVE AND MEDICAMENT COMPOSITION SANOFI SA 1992-08-07 JP disclosed