SCHEMBL11137481

SCHEMBL11137481

O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2ccc(F)cc2F)c(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HSPB1 P04792 3/20 0.43
ALDH1A1 P00352 8/20 0.42
MAPT P10636 6/20 0.42
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
HTT P42858 3/20 0.42
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
HIF1A Q16665 1/20 0.40
TP53 P04637 1/20 0.40
EPAS1 Q99814 1/20 0.38
HSP90AA1 P07900 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
MITF O75030 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
SCHEMBL11593599 0.91 EPAS1 (0.44) ATMTDP1HSPB1ALDH1A1MAPT
SCHEMBL11591036 0.91 POLB (0.48) TDP1HSPB1ALDH1A1MAPTMEN1
SCHEMBL11587007 0.90 ALDH1A1 (0.43) ATMTDP1HSPB1ALDH1A1MAPT
SCHEMBL10796809 0.89 ALDH1A1 (0.44) ATMTDP1HSPB1ALDH1A1MAPT
SCHEMBL11735174 0.88 TDP1 (0.53) ATMTDP1HSPB1ALDH1A1MAPT
SCHEMBL11590789 0.88 POLB (0.40) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL11595300 0.88 MAPK1 (0.44) TDP1ALDH1A1MAPTMEN1KMT2A
SCHEMBL11593158 0.88 MAPT (0.47) TDP1ALDH1A1MAPTMEN1KMT2A
SCHEMBL11588228 0.88 MAPT (0.46) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL11593164 0.86 MAPT (0.46) TDP1HSPB1ALDH1A1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4407820-A INSECTICIDES, MITICIDES ELI LILLY AND COMPANY (US) 1983-10-04 US disclosed
EP-0060951-A1 Improvements in or relating to N-alkylated diphenylamine derivatives ELI LILLY AND COMPANY (US) 1982-09-29 EP disclosed
US-4117167-A INSECTICIDES, ACARICIDES IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1978-09-26 US disclosed
US-4084004-A Rodenticidal use of diphenylamines ELI LILLY AND COMPANY (US) 1978-04-11 US disclosed