SCHEMBL9656288

SCHEMBL9656288

CC(C)=C1CC(=O)N(c2cc(OCC#N)c(Cl)cc2Cl)C1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.43
GAA P10253 1/20 0.43
PPOX P50336 4/20 0.35
CGAS Q8N884 1/20 0.35
POLB P06746 2/20 0.34
ALOX15 P16050 1/20 0.34
HTT P42858 1/20 0.34
HSP90AB1 P08238 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HSP90AA1 P07900 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
RAB9A P51151 1/20 0.32
CCR6 P51684 1/20 0.32
CACNA1B Q00975 1/20 0.32
APBA1 Q02410 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
NR1I2 O75469 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
SCHEMBL9656249 0.91 PPOX (0.40) PKMGAAPPOX
SCHEMBL9655985 0.89 PKM (0.42) PKMGAAPPOXPOLBL3MBTL1
SCHEMBL9652890 0.88 GAA (0.43) PKMGAAPPOXCGASPOLB
SCHEMBL9654864 0.85 GAA (0.52) PKMGAAPPOXPOLBHTT
SCHEMBL9656145 0.84 ALDH1A1 (0.38) CGASPOLBALOX15HTTALDH1A1
SCHEMBL9652343 0.83 PPOX (0.50) PKMGAAPPOXPOLBL3MBTL1
SCHEMBL9655614 0.83 GAA (0.45) PKMGAAPPOXPOLBL3MBTL1
SCHEMBL9655608 0.83 GAA (0.45) PKMGAAPPOXPOLBL3MBTL1
SCHEMBL9654591 0.83 GAA (0.45) PKMGAAPPOXPOLBL3MBTL1
SCHEMBL9655595 0.83 GAA (0.56) PKMGAAPPOXPOLBL3MBTL1

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-0190755-B1 AN N-SUBSTITUTED-PHENYLTERACONIMIDE COMPOUND, HERBICIDAL COMPOSITION, AND METHOD FOR THE DESTRUCTION OF UNDESIRABLE WEEDS Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1992-06-17 EP disclosed
US-4964905-A N-substituted-phenylteraconimide compound, herbicidal composition, and method for the destruction of undesirable weeds ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1990-10-23 US disclosed
EP-0190755-A2 An n-substituted-phenylteraconimide compound, herbicidal composition, and method for the destruction of undesirable weeds Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1986-08-13 EP disclosed