SCHEMBL11587734

SCHEMBL11587734

O=[N+]([O-])c1ccc(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2C(F)(F)F)c([N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.51
KMT2A Q03164 8/20 0.51
MAPT P10636 7/20 0.51
MAPK1 P28482 5/20 0.51
ALDH1A1 P00352 7/20 0.49
POLB P06746 2/20 0.48
TDP1 Q9NUW8 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HIF1A Q16665 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
HTT P42858 3/20 0.43
LMNA P02545 2/20 0.43
PKM P14618 2/20 0.43
GAA P10253 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
ABCC8 Q09428 1/20 0.41
KCNJ11 Q14654 1/20 0.41

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
SCHEMBL11667190 0.91 MAPK1 (0.56) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL11593599 0.91 EPAS1 (0.44) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL11591036 0.91 POLB (0.48) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL11592911 0.90 MEN1 (0.43) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL11589108 0.90 L3MBTL1 (0.51) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL11594761 0.90 MAPK1 (0.52) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL11587958 0.90 MEN1 (0.49) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL11592857 0.90 POLB (0.47) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL11593993 0.90 ALDH1A1 (0.45) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL11592989 0.88 ALDH1A1 (0.51) MEN1KMT2AMAPTMAPK1ALDH1A1

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-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