SCHEMBL19418256

SCHEMBL19418256

CC(C)(O)C(C)(C)OBc1ccc(C(N)=O)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.42
APP P05067 2/20 0.37
SIRT6 Q8N6T7 2/20 0.36
KIT P10721 1/20 0.34
FLT3 P36888 1/20 0.34
NNMT P40261 1/20 0.34
MAPK1 P28482 2/20 0.33
PDE4A P27815 2/20 0.33
PDE4B Q07343 2/20 0.33
PDE4C Q08493 2/20 0.33
PDE4D Q08499 2/20 0.33
NAMPT P43490 1/20 0.33
TGFBR1 P36897 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
VNN1 O95497 1/20 0.32
GSK3B P49841 1/20 0.32
KDM4E B2RXH2 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL8064319 0.86 MAPK1 (0.50) KMT2AMAPK1KDM4EL3MBTL1TSHR
SCHEMBL23341275 0.84 PIP5K1C (0.40) MAPK1KDM4ETSHR
SCHEMBL17082346 0.83 PIK3CD (0.39) MAPK1KDM4EL3MBTL1
SCHEMBL11960799 0.81 PARP1 (0.37)
SCHEMBL16315245 0.80 ALDH1A1 (0.37) MAPK1OPRD1L3MBTL1TSHR
SCHEMBL8065893 0.79 KDM4E (0.37) NNMTKDM4E
SCHEMBL7876853 0.77 KMT2A (0.37) KMT2A
SCHEMBL22084822 0.77
SCHEMBL14978738 0.76 PTK2 (0.48) KMT2AKDM4EL3MBTL1
SCHEMBL12459107 0.75 NNMT (0.38) KMT2ANNMTKDM4E

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
EP-2925757-B1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2017-10-04 EP disclosed