SCHEMBL8570147

SCHEMBL8570147

Cc1c(C(F)(F)F)cnn(-c2cc([O])c(Cl)cc2F)c1=O

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.33
ATM Q13315 1/20 0.33
COMT P21964 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
PAX8 Q06710 1/20 0.33
NPBWR1 P48145 9/20 0.32
MCHR1 Q99705 6/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
KMT2A Q03164 1/20 0.30
GRM1 Q13255 1/20 0.30
HSD11B1 P28845 2/20 0.30

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
SCHEMBL4678151 0.86 COMT (0.40) GAAATMCOMTNPC1RAB9A
SCHEMBL6979611 0.86 GAA (0.33) GAAATMCOMTNPC1RAB9A
SCHEMBL4677779 0.84 PPOX (0.43) RAB9ANPBWR1MCHR1
SCHEMBL27413652 0.84 DHODH (0.35) GAAATMCOMTNPC1RAB9A
SCHEMBL4681846 0.83 NOTUM (0.37) COMTKMT2A
SCHEMBL31448215 0.83 NOTUM (0.37) COMTKMT2A
SCHEMBL4679803 0.82 PPOX (0.44) GAANPBWR1MCHR1KMT2A
SCHEMBL31442437 0.82 PPOX (0.44) GAANPBWR1MCHR1KMT2A
SCHEMBL4678823 0.82 PPOX (0.43) GAANPBWR1MCHR1
SCHEMBL4681813 0.81 GAA (0.33) GAAATMCOMTNPC1RAB9A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-10231211-A None JP disclosed
JP-10231203-A None JP disclosed
JP-10231204-A None JP disclosed
JP-H10231204-A HERBICIDAL COMPOSITION SUMITOMO CHEM CO LTD 1998-09-02 JP disclosed
JP-H10231211-A HERBICIDAL COMPOSITION SUMITOMO CHEM CO LTD 1998-09-02 JP disclosed
JP-H10231203-A HERBICIDAL COMPOSITION SUMITOMO CHEM CO LTD 1998-09-02 JP disclosed