SCHEMBL17048815

SCHEMBL17048815

O=[N+]([O-])C(CO)c1c(Cl)ccc(F)c1Cl

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.33
MET P08581 5/20 0.32
KDR P35968 3/20 0.31
AURKA O14965 1/20 0.31
ABL1 P00519 1/20 0.31
LCK P06239 1/20 0.31
FYN P06241 1/20 0.31
YES1 P07947 1/20 0.31
FGFR2 P21802 1/20 0.31
EPHA2 P29317 1/20 0.31
LTK P29376 1/20 0.31
AXL P30530 1/20 0.31
FLT3 P36888 1/20 0.31
MST1R Q04912 1/20 0.31
PTK6 Q13882 1/20 0.31

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
SCHEMBL17048826 0.78 HSP90AA1 (0.38) TDP1
SCHEMBL22749806 0.77 GSR (0.31)
SCHEMBL17048868 0.76 MET (0.34) METKDRAURKAABL1LCK
SCHEMBL17048813 0.75 ALDH1A1 (0.45) TDP1METKDRAURKAABL1
SCHEMBL19995541 0.72 VCP (0.33)
SCHEMBL17048849 0.70 ALDH1A1 (0.31)
SCHEMBL17048896 0.70 USP7 (0.33)
SCHEMBL17048875 0.70 GPR35 (0.36)
SCHEMBL1444104 0.68 PSEN1 (0.45) TDP1
SCHEMBL6128210 0.67 CES2 (0.39)

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-3110810-A1 PYRAZOLE AMIDE DERIVATIVE Teijin Pharma Limited (JP) 2017-01-04 EP disclosed
WO-2015129926-A1 PYRAZOLE AMIDE DERIVATIVE TEIJIN PHARMA LIMITED (JP) 2015-09-03 WO disclosed