SCHEMBL4602925

SCHEMBL4602925

Nc1ccc(C(F)(F)C(F)(F)C(F)(F)F)cc1SC(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 2/20 0.32
MAPT P10636 2/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
PDE2A O00408 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
SCHEMBL13516115 0.85 KDM4E (0.32) KDM4EALDH1A1TDP1LMNAMAPT
SCHEMBL4180498 0.82 ALDH1A1 (0.35) KDM4EALDH1A1TDP1LMNAMAPT
SCHEMBL4187761 0.79 SMN1; SMN2 (0.41) KDM4EALDH1A1TDP1LMNAMAPT
SCHEMBL3586302 0.79 ALDH1A1 (0.48) KDM4EALDH1A1TDP1LMNAMAPT
SCHEMBL13516100 0.78 KDM4E (0.32) KDM4EALDH1A1TDP1LMNAMAPT
SCHEMBL4170590 0.75 LMNA (0.31) LMNAMAPT
SCHEMBL3871240 0.74 SMN1; SMN2 (0.38) KDM4EALDH1A1
SCHEMBL3910479 0.74 CYP3A4 (0.45) KDM4EALDH1A1TDP1MAPTTSHR
SCHEMBL4187872 0.73
SCHEMBL11516602 0.73 ALDH1A1 (0.55) KDM4EALDH1A1TDP1LMNAMAPT

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-1916236-A1 AMIDE DERIVATIVE, PESTICIDE CONTAINING SUCH COMPOUND AND USE THEREOF Mitsui Chemicals, Inc. (JP) 2008-04-30 EP disclosed