SCHEMBL10420192

SCHEMBL10420192

O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(F)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 6/20 0.61
PDK2 Q15119 6/20 0.61
PDK3 Q15120 6/20 0.61
PDK4 Q16654 6/20 0.61
MAPT P10636 4/20 0.57
MEN1 O00255 2/20 0.57
NPC1 O15118 2/20 0.57
MAPK1 P28482 2/20 0.57
RAB9A P51151 2/20 0.57
KMT2A Q03164 2/20 0.57
TRPV1 Q8NER1 1/20 0.57
ALDH1A1 P00352 2/20 0.53
CYP2C9 P11712 2/20 0.53
AURKA O14965 1/20 0.53
PDPK1 O15530 1/20 0.53
JAK2 O60674 1/20 0.53
GMNN O75496 1/20 0.53
EGFR P00533 1/20 0.53
LMNA P02545 1/20 0.53
TP53 P04637 1/20 0.53

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
SCHEMBL10420550 0.89 PDK1 (0.76) PDK1PDK2PDK3PDK4MAPT
SCHEMBL2072672 0.89 MAPT (0.60) PDK1PDK2PDK3PDK4MAPT
SCHEMBL4610006 0.86 PDK1 (0.81) PDK1PDK2PDK3PDK4
SCHEMBL6569621 0.86 PDK1 (0.81) PDK1PDK2PDK3PDK4
SCHEMBL9870968 0.84 PDK1 (0.52) PDK1PDK2PDK3PDK4MAPT
SCHEMBL9870149 0.83 GAA (0.54) PDK1PDK2PDK3PDK4MAPT
SCHEMBL9869867 0.83 ALDH1A1 (0.55) PDK1PDK2PDK3PDK4MAPT
SCHEMBL10420241 0.83 MAPT (0.57) PDK1PDK2PDK3PDK4MAPT
SCHEMBL9869441 0.83 PDK1 (0.51) PDK1PDK2PDK3PDK4MAPT
SCHEMBL9870871 0.81 PDK1 (0.48) PDK1PDK2PDK3PDK4MAPT

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 6 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 claimed
US-4826841-A INSECTICIDES, MITICIDES ELI LILLY AND COMPANY (US) 1989-05-02 US claimed
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