SCHEMBL9017967

SCHEMBL9017967

NC(=O)c1cnccc1CC(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT3 Q9NTG7 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
KDM4E B2RXH2 2/20 0.39
HTT P42858 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.37
F7 P08709 1/20 0.37
F3 P13726 1/20 0.37
SARM1 Q6SZW1 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.37
SIRT6 Q8N6T7 1/20 0.37
SIRT1 Q96EB6 1/20 0.37
SIRT5 Q9NXA8 1/20 0.37
SIRT4 Q9Y6E7 1/20 0.37
CD38 P28907 1/20 0.37
SYK P43405 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MEN1 O00255 1/20 0.36
KDM6B O15054 1/20 0.36
KDM4A O75164 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL9018318 0.81 SIRT3 (0.55) SIRT3TDP1KDM4EHTTLOXL2
SCHEMBL9002466 0.79 SIRT3 (0.61) SIRT3TDP1KDM4EHTTF7
SCHEMBL31275609 0.78 SIRT3 (0.51) SIRT3TDP1KDM4EHTTLOXL2
SCHEMBL3818201 0.77 SIRT3 (0.55) SIRT3TDP1KDM4EHTTLOXL2
SCHEMBL9018158 0.77 SIRT3 (0.55) SIRT3TDP1KDM4EHTTLOXL2
SCHEMBL27706540 0.77 SIRT3 (0.47) SIRT3TDP1KDM4EHTTF7
SCHEMBL363265 0.75 KDM4E (0.45) KDM4ESIRT1CD38MEN1ALDH1A1
SCHEMBL23674670 0.75 KDM4C (0.49) TDP1KDM4EL3MBTL1MEN1KDM6B
SCHEMBL28769662 0.75 SIRT3 (0.56) SIRT3TDP1KDM4EHTTF7
SCHEMBL27372597 0.75 SIRT3 (0.51) SIRT3TDP1KDM4EHTTLOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0580374-B1 Pyridine amides and their salts, processes for their production and pesticidal compositions containing them ISHIHARA SANGYO KAISHA (JP) 1996-01-03 EP disclosed
US-5360806-A Insecticides ISHIHARA SANGYO KAISHA LTD. (JP) 1994-11-01 US disclosed
EP-0580374-A1 Pyridine amides and their salts, processes for their production and pesticidal compositions containing them ISHIHARA SANGYO KAISHA, LTD. (JP) 1994-01-26 EP disclosed