SCHEMBL5969640

SCHEMBL5969640

CC(=O)COc1cc(-n2ncc(C(F)(F)F)c(C)c2=O)c(F)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPOX P50336 7/20 0.40
GAA P10253 2/20 0.35
PKM P14618 1/20 0.35
ALDH1A1 P00352 3/20 0.33
HPGD P15428 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
COMT P21964 1/20 0.32
NPC1 O15118 2/20 0.32
LMNA P02545 2/20 0.32
RAB9A P51151 2/20 0.32
CYP1A2 P05177 1/20 0.32
HSP90AA1 P07900 1/20 0.32
XBP1 P17861 1/20 0.32
CYP2C19 P33261 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
DHODH Q02127 3/20 0.32
MAPT P10636 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
SCHEMBL39165 0.92 PPOX (0.40) PPOXPKMALDH1A1HPGDKDM4E
SCHEMBL14302298 0.91 PPOX (0.38) PPOXGAAPKMALDH1A1HPGD
SCHEMBL4681580 0.90 LMNA (0.44) PPOXGAAPKMALDH1A1HPGD
SCHEMBL14303096 0.90 PPOX (0.38) PPOXGAAPKMALDH1A1HPGD
SCHEMBL39032 0.89 PPOX (0.53) PPOXGAAPKMALDH1A1HPGD
SCHEMBL4683126 0.88 PPOX (0.41) PPOXGAAPKMALDH1A1HPGD
SCHEMBL7775676 0.88 PPOX (0.41) PPOXGAAPKMKDM4ECOMT
SCHEMBL4678823 0.88 PPOX (0.43) PPOXGAAALDH1A1KDM4ECYP1A2
SCHEMBL7771312 0.87 PPOX (0.42) PPOXGAAPKMALDH1A1KDM4E
SCHEMBL4681591 0.87 PPOX (0.47) PPOXGAAPKMALDH1A1KDM4E

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
JP-2006001921-A METHOD FOR CONTROLLING WEED SUMITOMO CHEMICAL CO LTD 2006-01-05 JP disclosed