SCHEMBL28112151

SCHEMBL28112151

COC(=O)c1c(C)n[nH]c1C(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.42
GAA P10253 2/20 0.39
AR P10275 1/20 0.36
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
MAPK1 P28482 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
ALDH1A1 P00352 3/20 0.34
NPSR1 Q6W5P4 2/20 0.34
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 2/20 0.33
HPGD P15428 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CSNK2A2 P19784 1/20 0.33
KDR P35968 1/20 0.33
CSNK2B P67870 1/20 0.33
CSNK2A1 P68400 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
SCHEMBL19328 0.83 PDE4D (0.65) PDE4DGAAMAPK1ALDH1A1NPSR1
SCHEMBL28112046 0.83 PDE4D (0.42) PDE4DGAAARHSP90AA1HSP90AB1
SCHEMBL20075372 0.82 PDE4D (0.39) PDE4DMAPK1ALDH1A1NPSR1LMNA
SCHEMBL22637869 0.80 PDE4D (0.38) PDE4DMAPK1LMNAKDM4EMEN1
SCHEMBL4754626 0.77 PDE4D (0.66) PDE4DGAAARHSP90AA1HSP90AB1
SCHEMBL11205284 0.74 PDE4D (0.47) PDE4DGAAARHSP90AA1HSP90AB1
SCHEMBL11201220 0.73 PDE4D (0.46) PDE4DGAAARHSP90AA1HSP90AB1
SCHEMBL10720445 0.73 PDE4D (0.46) PDE4DGAAARHSP90AA1HSP90AB1
SCHEMBL17777759 0.73 PDE4D (0.46) PDE4DGAAARHSP90AA1HSP90AB1
SCHEMBL23301792 0.72 PDE4D (0.42) PDE4DGAAARHSP90AA1HSP90AB1

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
CN-106467492-B preparation method of polyfluoromethyl pyrazole compound, intermediate and preparation method 联化科技(盐城)有限公司 2019-12-17 CN disclosed
CN-106467492-A The preparation method of polyfluoro methyl pyrazoles compound, intermediate and preparation method 联化科技(盐城)有限公司 2017-03-01 CN disclosed