SCHEMBL19686669

SCHEMBL19686669

CNNc1nc(NC2CCC(F)(F)CC2)cc(NC2CCCN(C)C2=O)n1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IL1B P01584 2/20 0.38
IDH1 O75874 14/20 0.36
IDH2 P48735 3/20 0.33
NUDT1 P36639 1/20 0.32
HRH4 Q9H3N8 2/20 0.30
CHRM3 P20309 1/20 0.30
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 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
SCHEMBL19687218 0.94 IDH1 (0.38) IL1BIDH1IDH2
SCHEMBL19686686 0.80 IDH1 (0.37) IDH1IDH2NUDT1HRH4
SCHEMBL19687388 0.80 KCNN2 (0.52) IL1B
SCHEMBL19686523 0.74 IDH1 (0.44) IDH1IDH2
SCHEMBL19687382 0.73 KCNN2 (0.51) IDH1
SCHEMBL19686272 0.73 KCNN2 (0.51) IDH1
SCHEMBL19687212 0.73 KCNN2 (0.51) IDH1
SCHEMBL19687174 0.71 IDH1 (0.39) IDH1IDH2
SCHEMBL19687150 0.71 IDH1 (0.39) IDH1IDH2
SCHEMBL19687151 0.70 IDH1 (0.38) IDH1IDH2

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
WO-2017139697-A9 BACTERIA ENGINEERED TO TREAT DISEASES ASSOCIATED WITH HYPERAMMONEMIA SYNLOGIC, INC. (US) 2017-12-07 WO disclosed