SCHEMBL17048826

SCHEMBL17048826

O=[N+]([O-])C(CO)c1c(Cl)cccc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.38
CNR1 P21554 1/20 0.37
GSR P00390 1/20 0.35
ALDH1A1 P00352 5/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
FEN1 P39748 1/20 0.33
PTPN7 P35236 1/20 0.33
PTPN12 Q05209 1/20 0.33
PTPN22 Q9Y2R2 1/20 0.33
AKR1B1 P15121 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33

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
SCHEMBL17048714 0.85 MAPT (0.39) GSRALDH1A1MAPTMAPK1SMN1; SMN2
SCHEMBL17048849 0.80 ALDH1A1 (0.31) ALDH1A1TSHR
SCHEMBL17048875 0.80 GPR35 (0.36) ALDH1A1MAPTHTTTSHR
SCHEMBL17048896 0.80 USP7 (0.33) ALDH1A1MAPK1LMNAHTTUSP7
SCHEMBL17048815 0.78 TDP1 (0.33) TDP1
SCHEMBL4851936 0.76 ALDH1A1 (0.47) CNR1GSRALDH1A1MAPTMAPK1
SCHEMBL17048823 0.76 HSD17B10 (0.32) ALDH1A1MAPTMAPK1SMN1; SMN2HTT
SCHEMBL17048987 0.73 MEN1 (0.38) ALDH1A1MAPTSMN1; SMN2LMNAHTT
SCHEMBL17048785 0.73 CNR1 (0.32) HSP90AA1CNR1SMN1; SMN2LMNAHTT
SCHEMBL3336779 0.71 GSR (0.55) CNR1GSRALDH1A1MAPTMAPK1

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