SCHEMBL19687531

SCHEMBL19687531

CNNc1cc(C=O)cc(NC2CCC(F)(F)CC2)n1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 18/20 0.40
IDH2 P48735 4/20 0.33
NUDT1 P36639 1/20 0.33
CSNK2B P67870 1/20 0.32

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
SCHEMBL19687530 0.80 IDH1 (0.40) IDH1IDH2NUDT1
SCHEMBL21143818 0.75 IDH1 (0.40) IDH1IDH2
SCHEMBL19687529 0.75 KCNN2 (0.45) IDH1
SCHEMBL31127030 0.75 KCNN2 (0.45) IDH1
SCHEMBL19687486 0.74 IDH1 (0.39) IDH1IDH2
SCHEMBL21144213 0.74 IDH1 (0.39) IDH1IDH2
SCHEMBL19686885 0.74 IDH1 (0.38) IDH1IDH2NUDT1
SCHEMBL19687396 0.73 IDH1 (0.38) IDH1IDH2
SCHEMBL19686523 0.73 IDH1 (0.44) IDH1IDH2
SCHEMBL18748587 0.71 IDH1 (0.49) 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