SCHEMBL9017969

SCHEMBL9017969

NC(=O)c1cnccc1C(F)(F)Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT3 Q9NTG7 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 2/20 0.40
CASP1 P29466 2/20 0.40
HTT P42858 1/20 0.40
ROCK1 Q13464 2/20 0.38
CHEK1 O14757 1/20 0.38
AURKA O14965 1/20 0.38
DAPK3 O43293 1/20 0.38
PRKD3 O94806 1/20 0.38
MAP4K4 O95819 1/20 0.38
PAK4 O96013 1/20 0.38
ABL1 P00519 1/20 0.38
RET P07949 1/20 0.38
PIM1 P11309 1/20 0.38
FGFR1 P11362 1/20 0.38
PRKACA P17612 1/20 0.38

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
SCHEMBL9018018 0.90 SIRT3 (0.51) SIRT3TDP1NPC1POLBALDH1A1
SCHEMBL30271093 0.86 SIRT3 (0.55) SIRT3TDP1NPC1POLBALDH1A1
SCHEMBL9017991 0.86 SIRT3 (0.55) SIRT3TDP1NPC1POLBALDH1A1
SCHEMBL1966341 0.86 SIRT3 (0.55) SIRT3TDP1NPC1POLBALDH1A1
SCHEMBL9017980 0.84 TDP1 (0.53) SIRT3TDP1NPC1POLBALDH1A1
Methane SCHEMBL27522509 0.84 SIRT3 (0.53) SIRT3TDP1NPC1POLBALDH1A1
SCHEMBL8852563 0.76 NPC1 (0.58) NPC1POLBALDH1A1KDM4EHTT
SCHEMBL31144930 0.75 TDP1 (0.50) SIRT3TDP1NPC1POLBALDH1A1
SCHEMBL4043333 0.75 TDP1 (0.50) SIRT3TDP1NPC1POLBALDH1A1
SCHEMBL1330970 0.73 TDP1 (0.67) SIRT3TDP1ALDH1A1KDM4ECASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1044233-C Amide compounds and their salts, processes for their production and pesticidal compositions containing them ISHIHARA SANGYO KAISHA (JP) 1999-07-21 CN disclosed
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
CN-1081670-A Amide compound and salt thereof, their manufacturing process and pesticide composition thereof ISHIHARA SANGYO KAISHA (JP) 1994-02-09 CN 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