SCHEMBL1720935

SCHEMBL1720935

CC(C)COC(=O)n1ccc2c(B3OC(C)(C)C(C)(C)O3)cccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 1/20 0.35
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
NOTUM Q6P988 1/20 0.33
TSHR P16473 1/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
SCN9A Q15858 1/20 0.32
SCN10A Q9Y5Y9 1/20 0.32
UCHL1 P09936 1/20 0.31
JAK2 O60674 2/20 0.31
BTK Q06187 2/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KDM4E B2RXH2 1/20 0.30
THRB P10828 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
SCHEMBL29947386 0.81 L3MBTL1 (0.34) NOTUM
SCHEMBL30606423 0.81 BRD4 (0.39) MEN1KMT2ANOTUMJAK2BTK
SCHEMBL715654 0.81 BRD4 (0.39) MEN1KMT2ANOTUMJAK2BTK
SCHEMBL21624141 0.80 NOTUM (0.52) ALDH1A1MEN1HPGDKMT2ANOTUM
SCHEMBL2574877 0.80 NOTUM (0.39) ALDH1A1NOTUMJAK2BTK
SCHEMBL23344114 0.78 LMNA (0.43) ALDH1A1NOTUMUCHL1JAK2BTK
SCHEMBL14720209 0.76 AAK1 (0.36) P2RX4MEN1HPGDKMT2AMAPT
SCHEMBL32691459 0.72 ALDH1A1 (0.45) ALDH1A1MEN1KMT2ATSHRRAB9A
SCHEMBL21636529 0.70 HTR2C (0.47) JAK2BTK
SCHEMBL21636411 0.70 CNR2 (0.47) ALDH1A1MEN1KMT2ANPC1RAB9A

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