SCHEMBL19687218

SCHEMBL19687218

CNNc1nc(NC2CCC(F)(F)CC2)cc(NC2CCN(C)C2=O)n1

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 18/20 0.38
IDH2 P48735 4/20 0.34
IL1B P01584 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
SCHEMBL19686669 0.94 IL1B (0.38) IDH1IDH2IL1B
SCHEMBL19687382 0.79 KCNN2 (0.51) IDH1
SCHEMBL19686272 0.79 KCNN2 (0.51) IDH1
SCHEMBL19687212 0.79 KCNN2 (0.51) IDH1
SCHEMBL19686686 0.78 IDH1 (0.37) IDH1IDH2
SCHEMBL19686523 0.76 IDH1 (0.44) IDH1IDH2
SCHEMBL19687388 0.73 KCNN2 (0.52) IL1B
SCHEMBL19687174 0.73 IDH1 (0.39) IDH1IDH2
SCHEMBL19687150 0.73 IDH1 (0.39) IDH1IDH2
SCHEMBL19686915 0.73 KCNN2 (0.39) IDH1

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