SCHEMBL28047384

SCHEMBL28047384

CC(N[S@+]([O-])C(C)(C)C)c1cc(F)c(Br)cc1F

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 3/20 0.33
AAK1 Q2M2I8 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
SCHEMBL16046449 1.00 IDH1 (0.33) IDH1AAK1
SCHEMBL15960144 1.00 IDH1 (0.33) IDH1AAK1
SCHEMBL30484066 0.88 KDM1A (0.32)
SCHEMBL2108498 0.88
SCHEMBL20238255 0.87
SCHEMBL20238258 0.87
SCHEMBL20238259 0.87
SCHEMBL15960147 0.86 IDH1 (0.30) IDH1
SCHEMBL19191782 0.86 IDH1 (0.30) IDH1
SCHEMBL19177718 0.86 IDH1 (0.30) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105263929-A 3-Pyrimidin-4-yl-oxazolidin-2-one compounds as mutant IDH inhibitors NOVARTIS AG 2016-01-20 CN disclosed
CN-105209460-A 3-Pyrimidin-4-yl-oxazolidin-2-one compounds as mutant IDH inhibitors NOVARTIS AG 2015-12-30 CN disclosed