SCHEMBL19686885

SCHEMBL19686885

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

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 6/20 0.38
MAPK8 P45983 1/20 0.33
ROCK2 O75116 1/20 0.32
KDM1A O60341 2/20 0.31
MAPK1 P28482 1/20 0.31
SYK P43405 2/20 0.31
MAOB P27338 1/20 0.31
CNR2 P34972 1/20 0.31
IDH2 P48735 1/20 0.30
NUDT1 P36639 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
SCHEMBL19686878 0.86 IDH1 (0.45) IDH1MAPK8ROCK2KDM1AMAPK1
SCHEMBL19686612 0.79 KCNN2 (0.39) IDH1KDM1AMAPK1SYK
SCHEMBL19686884 0.78 IDH1 (0.45) IDH1MAPK1IDH2
SCHEMBL19687530 0.76 IDH1 (0.40) IDH1MAPK1IDH2NUDT1
SCHEMBL19687531 0.74 IDH1 (0.40) IDH1IDH2NUDT1
SCHEMBL19686593 0.73 KCNN2 (0.49) IDH1MAPK1
SCHEMBL21144424 0.73 KCNN2 (0.49) IDH1MAPK1
SCHEMBL21144427 0.73 KCNN2 (0.49) IDH1MAPK1
SCHEMBL19687174 0.68 IDH1 (0.39) IDH1IDH2
SCHEMBL19687486 0.67 IDH1 (0.39) 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