SCHEMBL11587736

SCHEMBL11587736

O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2ccc(C(F)(F)F)cc2)c(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
KIF11 P52732 1/20 0.49
HSP90AA1 P07900 1/20 0.49
MAPT P10636 4/20 0.48
ALDH1A1 P00352 3/20 0.48
LMNA P02545 3/20 0.48
POLB P06746 1/20 0.48
GAA P10253 1/20 0.48
XBP1 P17861 1/20 0.48
FBP1 P09467 1/20 0.43
HRAS P01112 1/20 0.41
EPAS1 Q99814 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
MITF O75030 1/20 0.40
RAB9A P51151 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
CYP3A4 P08684 2/20 0.40

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 0.92 MEN1 (0.51) MAPK1MEN1KMT2AKIF11HSP90AA1
SCHEMBL11149199 0.92 MAPT (0.55) MAPK1MEN1KMT2AKIF11HSP90AA1
SCHEMBL10796950 0.91 MAPK1 (0.49) MAPK1MEN1KMT2AKIF11HSP90AA1
SCHEMBL11137496 0.89 MEN1 (0.49) MAPK1MEN1KMT2AKIF11HSP90AA1
SCHEMBL11587443 0.88 MEN1 (0.54) MAPK1MEN1KMT2AKIF11HSP90AA1
SCHEMBL11587743 0.88 MEN1 (0.48) MAPK1MEN1KMT2AKIF11HSP90AA1
SCHEMBL11232334 0.88 MAPT (0.59) MAPK1MEN1KMT2AKIF11HSP90AA1
SCHEMBL10527347 0.88 MAPT (0.56) MAPK1MEN1KMT2AKIF11HSP90AA1
SCHEMBL11587093 0.88 MEN1 (0.48) MAPK1MEN1KMT2AKIF11HSP90AA1
SCHEMBL11586472 0.88 MEN1 (0.44) MAPK1MEN1KMT2AKIF11HSP90AA1

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