SCHEMBL11587744

SCHEMBL11587744

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HSP90AA1 P07900 1/20 0.43
ALDH1A1 P00352 4/20 0.40
LMNA P02545 3/20 0.40
KIF11 P52732 2/20 0.40
MAPK1 P28482 2/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
XBP1 P17861 1/20 0.40
HRAS P01112 1/20 0.40
TDO2 P48775 1/20 0.39
NPY1R P25929 1/20 0.39
NPY2R P49146 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TYMS P04818 1/20 0.39
RAPGEF4 Q8WZA2 1/20 0.39
GPR35 Q9HC97 1/20 0.38
ARNT P27540 1/20 0.38

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
SCHEMBL11590197 0.93 MAPT (0.46) MAPTMEN1KMT2AHSP90AA1ALDH1A1
SCHEMBL11589417 0.93 MAPT (0.43) MAPTMEN1KMT2AHSP90AA1ALDH1A1
SCHEMBL11592362 0.90 TDO2 (0.50) MAPTMEN1KMT2AHSP90AA1ALDH1A1
SCHEMBL11594701 0.90 MAPT (0.43) MAPTMEN1KMT2AHSP90AA1ALDH1A1
SCHEMBL11593893 0.89 HRAS (0.52) MAPTMEN1KMT2AHSP90AA1ALDH1A1
SCHEMBL11588784 0.88 MAPT (0.46) MAPTMEN1KMT2AHSP90AA1ALDH1A1
SCHEMBL11587743 0.87 MEN1 (0.48) MAPTMEN1KMT2AHSP90AA1ALDH1A1
SCHEMBL11587095 0.87 MEN1 (0.49) MAPTMEN1KMT2AHSP90AA1ALDH1A1
SCHEMBL11213675 0.86 MEN1 (0.40) MAPTMEN1KMT2AHSP90AA1ALDH1A1
SCHEMBL11588407 0.86 SLC22A12 (0.45) MAPTMEN1KMT2AHSP90AA1ALDH1A1

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