SCHEMBL11587743

SCHEMBL11587743

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
HSP90AA1 P07900 1/20 0.48
MAPT P10636 7/20 0.44
ALDH1A1 P00352 4/20 0.44
MAPK1 P28482 4/20 0.44
LMNA P02545 3/20 0.44
POLB P06746 2/20 0.44
GAA P10253 1/20 0.44
XBP1 P17861 1/20 0.44
KIF11 P52732 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
HTT P42858 2/20 0.40
HPGD P15428 1/20 0.40
ALOX12 P18054 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
EPAS1 Q99814 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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 0.91 MEN1 (0.51) MEN1KMT2AHSP90AA1MAPTALDH1A1
SCHEMBL11588550 0.88 EPAS1 (0.45) MEN1KMT2AHSP90AA1MAPTALDH1A1
SCHEMBL11137496 0.88 MEN1 (0.49) MEN1KMT2AHSP90AA1MAPTALDH1A1
SCHEMBL11587736 0.88 MAPK1 (0.49) MEN1KMT2AHSP90AA1MAPTALDH1A1
SCHEMBL11592362 0.88 TDO2 (0.50) MEN1KMT2AHSP90AA1MAPTALDH1A1
SCHEMBL11594701 0.87 MAPT (0.43) MEN1KMT2AHSP90AA1MAPTALDH1A1
SCHEMBL11587744 0.87 MAPT (0.43) MEN1KMT2AHSP90AA1MAPTALDH1A1
SCHEMBL11589417 0.87 MAPT (0.43) MEN1KMT2AHSP90AA1MAPTALDH1A1
SCHEMBL11590197 0.87 MAPT (0.46) MEN1KMT2AHSP90AA1MAPTALDH1A1
SCHEMBL10800838 0.87 MEN1 (0.48) MEN1KMT2AHSP90AA1MAPTALDH1A1

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