SCHEMBL19216864

SCHEMBL19216864

C=CC(=O)N1CCC(c2onc(-c3c(F)cc(Cl)cc3Cl)c2C(=O)n2cc3c4c(cccc42)/C(=C/C(=O)O)CC3)CC1

nearest known ligand 0.91

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 20/20 0.91

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
SCHEMBL19216785 0.95 IDH1 (1.00) IDH1
SCHEMBL19216626 0.90 IDH1 (1.00) IDH1
SCHEMBL19216964 0.90 IDH1 (1.00) IDH1
SCHEMBL19216791 0.88 IDH1 (1.00) IDH1
SCHEMBL19216787 0.86 IDH1 (0.82) IDH1
SCHEMBL19513892 0.82 IDH1 (0.75) IDH1
SCHEMBL19216930 0.80 IDH1 (1.00) IDH1
SCHEMBL19216863 0.80 IDH1 (1.00) IDH1
SCHEMBL19216665 0.78 IDH1 (1.00) IDH1
SCHEMBL28415382 0.78 IDH1 (0.75) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106795146-B Isoxazole derivatives as inhibitors of mutant isocitrate dehydrogenase 1 第一三共株式会社 2020-06-26 CN claimed
EP-3202766-B1 ISOXAZOLE DERIVATIVE AS MUTATED ISOCITRATE DEHYDROGENASE 1 INHIBITOR DAIICHI SANKYO CO LTD (JP) 2019-12-25 EP claimed
EP-3202766-B1 ISOXAZOLE DERIVATIVE AS MUTATED ISOCITRATE DEHYDROGENASE 1 INHIBITOR DAIICHI SANKYO CO LTD (JP) 2019-12-25 EP disclosed
EP-3202766-A1 ISOXAZOLE DERIVATIVE AS MUTATED ISOCITRATE DEHYDROGENASE 1 INHIBITOR DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-08-09 EP disclosed