SCHEMBL1721312

SCHEMBL1721312

CC(C)CN(NC(=O)c1cc(Br)cc2[nH]ncc12)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
METTL3 Q86U44 4/20 0.48
TDO2 P48775 9/20 0.47
IDO1 P14902 8/20 0.39
FBP1 P09467 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL458344 0.75 TDO2 (0.60) METTL3TDO2IDO1CYP2C9
SCHEMBL459215 0.72 TDO2 (0.54) METTL3TDO2IDO1FBP1CYP2C9
SCHEMBL31158048 0.70 TDO2 (0.53) METTL3TDO2IDO1FBP1
SCHEMBL459193 0.70 TDO2 (0.53) METTL3TDO2IDO1FBP1
SCHEMBL789058 0.69 TMEM97 (0.47)
SCHEMBL23115879 0.67 ALDH1A1 (0.51) METTL3TDO2IDO1
SCHEMBL470163 0.67 TDO2 (0.50) METTL3TDO2IDO1FBP1
SCHEMBL3996007 0.66 KMT2A (0.49)
SCHEMBL22499111 0.66 METTL3 (1.00) METTL3
SCHEMBL30291890 0.66 METTL3 (1.00) METTL3

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
EP-2406255-A1 4-OXADIAZOL-2 -YL- INDAZOLES AS INHIBITORS OF P13 KINASES Glaxo Group Limited (GB) 2012-01-18 EP disclosed
WO-2010102958-A1 4-OXADIAZOL-2 -YL- INDAZOLES AS INHIBITORS OF P13 KINASES GLAXO GROUP LIMITED (GB) 2010-09-16 WO disclosed