SCHEMBL9869441

SCHEMBL9869441

O=C(Nc1ccc([N+](=O)[O-])cc1I)C(F)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 2/20 0.51
PDK2 Q15119 2/20 0.51
PDK3 Q15120 2/20 0.51
PDK4 Q16654 2/20 0.51
ALDH1A1 P00352 3/20 0.45
HTT P42858 2/20 0.45
GAA P10253 1/20 0.45
THRB P10828 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
KCNK2 O95069 1/20 0.43
KCNK10 P57789 1/20 0.43
KCNMA1 Q12791 1/20 0.42
RORC P51449 1/20 0.42
PKM P14618 1/20 0.41
MAPT P10636 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
MEN1 O00255 1/20 0.40
PABPC1 P11940 1/20 0.40

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
SCHEMBL23885023 0.89 PDK1 (0.50) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL30254740 0.89 PDK1 (0.50) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL9870968 0.84 PDK1 (0.52) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL10420192 0.83 PDK1 (0.61) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL9870149 0.83 GAA (0.54) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL9869867 0.83 ALDH1A1 (0.55) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL10420241 0.83 MAPT (0.57) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL10420550 0.81 PDK1 (0.76) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL10421645 0.80 RECQL (0.52) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL1026631 0.79 MAPT (0.50) ALDH1A1HTTKCNMA1PKMMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4992471-A Fluorinated carboxanilide LILLY INDUSTRIES LIMITED (GB) 1991-02-12 US claimed
US-4962284-A HERBICIDES, FUNGICIDES ELI LILLY AND COMPANY (US) 1990-10-09 US claimed
US-4826841-A INSECTICIDES, MITICIDES ELI LILLY AND COMPANY (US) 1989-05-02 US claimed
EP-0238351-A2 Molluscicides LILLY INDUSTRIES LIMITED (GB) 1987-09-23 EP claimed
US-4992471-A Fluorinated carboxanilide LILLY INDUSTRIES LIMITED (GB) 1991-02-12 US disclosed
US-4962284-A HERBICIDES, FUNGICIDES ELI LILLY AND COMPANY (US) 1990-10-09 US disclosed
US-4826841-A INSECTICIDES, MITICIDES ELI LILLY AND COMPANY (US) 1989-05-02 US disclosed
EP-0238351-A2 Molluscicides LILLY INDUSTRIES LIMITED (GB) 1987-09-23 EP disclosed
EP-0197756-A2 Alkanoyl anilides ELI LILLY AND COMPANY (US) 1986-10-15 EP disclosed
EP-0197451-A2 Energy submetering system HONEYWELL INC. (US) 1986-10-15 EP disclosed