SCHEMBL3847086

SCHEMBL3847086

CCCCCCCn1c(=O)c(Br)nn(C)c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 2/20 0.47
ADORA2B P29275 2/20 0.47
LMNA P02545 3/20 0.40
TSHR P16473 2/20 0.40
NR2F2 P24468 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
PDE4A P27815 4/20 0.38
ADORA2A P29274 4/20 0.38
PDE4B Q07343 4/20 0.38
PDE4C Q08493 4/20 0.38
PDE4D Q08499 4/20 0.38
PTGS1 P23219 3/20 0.38
PTGS2 P35354 3/20 0.38
MGLL Q99685 3/20 0.38
FAAH O00519 2/20 0.38
CNR2 P34972 1/20 0.37
TP53 P04637 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
SCHEMBL3846149 0.93 PDE4A (0.43) TNFADORA2BPDE4AADORA2APDE4B
SCHEMBL3284182 0.87 TNF (0.44) TNFADORA2BLMNATSHRNR2F2
SCHEMBL3285813 0.85 ADORA2B (0.43) TNFADORA2BLMNATSHRNR2F2
SCHEMBL3290916 0.79 PDE4A (0.41) TNFADORA2BPDE4AADORA2APDE4B
SCHEMBL3844340 0.78 CTSK (0.39) TNFADORA2BLMNATSHRNR2F2
SCHEMBL3288166 0.77 TNF (0.38) TNFADORA2BLMNATSHRNR2F2
SCHEMBL3284453 0.77 TNF (0.38) TNFADORA2BLMNATSHRNR2F2
SCHEMBL3288315 0.76 ADORA3 (0.49) ADORA2BTSHRHTTSMN1; SMN2NPSR1
SCHEMBL3285814 0.76 CTSK (0.60) TNFADORA2BSMN1; SMN2NPSR1PDE4A
SCHEMBL3284102 0.75 PTGS1 (0.41) TNFADORA2BLMNATSHRNR2F2

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-2328886-B1 DERIVATIVES OF TRIAZINES AND URACILS, THEIR PREPARATION AND THEIR APPLICATION IN HUMAN THERAPEUTICS PF MEDICAMENT (FR) 2016-12-28 EP disclosed
EP-1856065-B1 1,2,4-TRIAZINE DERIVATIVES, PREPARATION AND USE THEREOF IN HUMAN THERAPY PF MEDICAMENT (FR) 2009-11-11 EP disclosed