SCHEMBL11588784

SCHEMBL11588784

O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2ccc(C(F)(F)F)c(C(F)(F)F)c2)c(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.46
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
HSP90AA1 P07900 1/20 0.46
KIF11 P52732 2/20 0.43
MAPK1 P28482 6/20 0.43
ALDH1A1 P00352 5/20 0.43
LMNA P02545 3/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
XBP1 P17861 1/20 0.43
AR P10275 4/20 0.42
HTT P42858 3/20 0.42
CYP3A4 P08684 2/20 0.42
CES2 O00748 1/20 0.42
ABCB11 O95342 1/20 0.42
CYP1A2 P05177 1/20 0.42
GLA P06280 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
CHRM1 P11229 1/20 0.42

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
SCHEMBL11593456 0.89 MEN1 (0.51) MAPTMEN1KMT2AHSP90AA1KIF11
SCHEMBL11587744 0.88 MAPT (0.43) MAPTMEN1KMT2AHSP90AA1KIF11
SCHEMBL11137496 0.86 MEN1 (0.49) MAPTMEN1KMT2AHSP90AA1KIF11
SCHEMBL11587736 0.86 MAPK1 (0.49) MAPTMEN1KMT2AHSP90AA1KIF11
SCHEMBL11590197 0.86 MAPT (0.46) MAPTMEN1KMT2AHSP90AA1KIF11
SCHEMBL11589417 0.86 MAPT (0.43) MAPTMEN1KMT2AHSP90AA1KIF11
SCHEMBL11594701 0.86 MAPT (0.43) MAPTMEN1KMT2AHSP90AA1KIF11
SCHEMBL11587093 0.85 MEN1 (0.48) MAPTMEN1KMT2AHSP90AA1KIF11
SCHEMBL11587443 0.85 MEN1 (0.54) MAPTMEN1KMT2AHSP90AA1KIF11
SCHEMBL10527347 0.85 MAPT (0.56) MAPTMEN1KMT2AHSP90AA1KIF11

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
US-4084004-A Rodenticidal use of diphenylamines ELI LILLY AND COMPANY (US) 1978-04-11 US disclosed