SCHEMBL19687530

SCHEMBL19687530

CNNc1cc(C(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
MAPK1 P28482 1/20 0.35
IDH2 P48735 3/20 0.34
NUDT1 P36639 1/20 0.33

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
SCHEMBL19687174 0.80 IDH1 (0.39) IDH1IDH2
SCHEMBL19687531 0.80 IDH1 (0.40) IDH1IDH2NUDT1
SCHEMBL19686885 0.76 IDH1 (0.38) IDH1MAPK1IDH2NUDT1
SCHEMBL21144126 0.75 KCNN2 (0.45) IDH1MAPK1
SCHEMBL19686745 0.75 IDH1 (0.40) IDH1IDH2
SCHEMBL19687486 0.74 IDH1 (0.39) IDH1IDH2
SCHEMBL31127180 0.74 IDH1 (0.39) IDH1MAPK1IDH2
SCHEMBL21144150 0.74 IDH1 (0.39) IDH1MAPK1IDH2
SCHEMBL21144328 0.73 IDH1 (0.44) IDH1IDH2
SCHEMBL19686523 0.73 IDH1 (0.44) 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