SCHEMBL13515367

SCHEMBL13515367

Nc1cc2ccc(C(F)(F)F)nc2cc1C=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.38
ALDH1A1 P00352 4/20 0.36
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
KDM4E B2RXH2 2/20 0.34
GAA P10253 1/20 0.34
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PI4KA P42356 1/20 0.33
PIK3CG P48736 1/20 0.33
PI4KB Q9UBF8 1/20 0.33
NT5E P21589 1/20 0.33
PTGS2 P35354 1/20 0.32
LMNA P02545 2/20 0.32
MEN1 O00255 1/20 0.32
F2 P00734 1/20 0.32
CHRM2 P08172 1/20 0.32
HTR1A P08908 1/20 0.32
ADRA2A P08913 1/20 0.32

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
SCHEMBL125558 0.76 PIK3CD (0.35) BACE1ALDH1A1HSP90AA1HSP90AB1KDM4E
SCHEMBL27859288 0.76 BACE1 (0.38) BACE1ALDH1A1KDM4ENT5EPTGS2
SCHEMBL2933943 0.74 ALDH1A1 (0.47) ALDH1A1KDM4EMEN1KMT2AHSD17B10
SCHEMBL15472863 0.73 PLAU (0.57) BACE1ALDH1A1HSP90AA1HSP90AB1KDM4E
Hydrochloric Acid SCHEMBL28612763 0.71 PLAU (0.55) BACE1ALDH1A1HSP90AA1HSP90AB1KDM4E
SCHEMBL13515337 0.71 PDE4B (0.37) ALDH1A1KDM4ENT5EPTGS2MEN1
SCHEMBL30971512 0.71 TRPV1 (0.40) ALDH1A1HSP90AA1HSP90AB1KDM4EGAA
SCHEMBL30503643 0.71 LMNA (0.54) BACE1ALDH1A1HSP90AA1HSP90AB1KDM4E
SCHEMBL3772488 0.71 TRPV1 (0.40) ALDH1A1HSP90AA1HSP90AB1KDM4EGAA
SCHEMBL29685815 0.71 TRPV4 (0.32) NT5ELMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1919903-B1 BICYCLIC BISAMIDE DERIVATIVES AND USE THEREOF AS INSECTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2010-01-27 EP disclosed