SCHEMBL10420552

SCHEMBL10420552

O=C(Nc1cc(F)c([N+](=O)[O-])cc1[N+](=O)[O-])C(F)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 2/20 0.44
PDK2 Q15119 2/20 0.44
PDK3 Q15120 2/20 0.44
PDK4 Q16654 2/20 0.44
ABCC9 O60706 1/20 0.41
ABCC8 Q09428 1/20 0.41
KCNJ11 Q14654 1/20 0.41
KCNJ8 Q15842 1/20 0.41
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
HTT P42858 3/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
AR P10275 2/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
THRB P10828 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ATM Q13315 1/20 0.37

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
SCHEMBL10421834 0.92 PDK1 (0.40) PDK1PDK2PDK3PDK4ABCC9
SCHEMBL10420210 0.79 PDK1 (0.38) PDK1PDK2PDK3PDK4ABCC9
SCHEMBL10420623 0.79 PDK1 (0.37) PDK1PDK2PDK3PDK4ABCC9
SCHEMBL4652737 0.78 MAPT (0.54) MEN1KMT2AHTTLMNAMAPT
SCHEMBL9870968 0.78 PDK1 (0.52) PDK1PDK2PDK3PDK4ABCC9
SCHEMBL10421656 0.78 KMT2A (0.47) PDK1PDK2PDK3PDK4MEN1
SCHEMBL13592955 0.75 PDK1 (0.40) PDK1PDK2PDK3PDK4ABCC9
SCHEMBL9869447 0.75 PDK1 (0.49) PDK1PDK2PDK3PDK4ABCC9
SCHEMBL239425 0.75 PDK1 (0.40) PDK1PDK2PDK3PDK4ABCC9
SCHEMBL28829630 0.73 MAPT (0.49) MEN1KMT2AHTTLMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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