SCHEMBL19687470

SCHEMBL19687470

CNNc1nc(NC2CCC(F)(F)CC2)cc(NC(C)c2nccs2)n1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 16/20 0.39
IDH2 P48735 5/20 0.34
KDM4E B2RXH2 1/20 0.33
MAPKAPK2 P49137 1/20 0.31
MAPK1 P28482 1/20 0.30
GPR39 O43194 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
SCHEMBL19686267 0.79 KCNN2 (0.48) IDH1KDM4EMAPK1
SCHEMBL19686523 0.73 IDH1 (0.44) IDH1IDH2
SCHEMBL19687150 0.73 IDH1 (0.39) IDH1IDH2
SCHEMBL19687174 0.73 IDH1 (0.39) IDH1IDH2
SCHEMBL19686622 0.72 KCNN2 (0.38) IDH1IDH2KDM4EMAPKAPK2
SCHEMBL19687152 0.71 IDH1 (0.38) IDH1IDH2
SCHEMBL19687151 0.71 IDH1 (0.38) IDH1IDH2
SCHEMBL19686686 0.69 IDH1 (0.37) IDH1IDH2GPR39
SCHEMBL19687218 0.68 IDH1 (0.38) IDH1IDH2
SCHEMBL19687411 0.68 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