SCHEMBL11735792

SCHEMBL11735792

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.57
KMT2A Q03164 8/20 0.57
HSP90AA1 P07900 1/20 0.57
MAPT P10636 8/20 0.56
MAPK1 P28482 5/20 0.56
ALDH1A1 P00352 4/20 0.56
LMNA P02545 3/20 0.56
GAA P10253 2/20 0.56
POLB P06746 2/20 0.56
XBP1 P17861 1/20 0.56
KDM4E B2RXH2 2/20 0.50
NPC1 O15118 1/20 0.50
MITF O75030 1/20 0.50
RAB9A P51151 1/20 0.50
CXCR2 P25025 1/20 0.45
TDP1 Q9NUW8 4/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
HPGD P15428 1/20 0.43
ALOX12 P18054 1/20 0.43
HTT P42858 2/20 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
SCHEMBL11148926 0.88 MEN1 (0.62) MEN1KMT2AHSP90AA1MAPTMAPK1
SCHEMBL10796992 0.86 MEN1 (0.48) MEN1KMT2AHSP90AA1MAPTMAPK1
SCHEMBL11587093 0.86 MEN1 (0.48) MEN1KMT2AHSP90AA1MAPTMAPK1
SCHEMBL11737102 0.85 MAPT (0.51) MEN1KMT2AHSP90AA1MAPTMAPK1
SCHEMBL11741755 0.83 MEN1 (0.57) MEN1KMT2AHSP90AA1MAPTMAPK1
SCHEMBL11743221 0.83 MEN1 (0.66) MEN1KMT2AHSP90AA1MAPTMAPK1
SCHEMBL2681112 0.83 MEN1 (0.57) MEN1KMT2AHSP90AA1MAPTMAPK1
SCHEMBL11152920 0.83 MEN1 (0.59) MEN1KMT2AHSP90AA1MAPTMAPK1
SCHEMBL11156657 0.83 KMT2A (0.79) MEN1KMT2AHSP90AA1MAPTMAPK1
SCHEMBL11745102 0.83 MAPT (0.64) MEN1KMT2AHSP90AA1MAPTMAPK1

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-4018896-A PLANT DISEASES ELI LILLY AND COMPANY (US) 1977-04-19 US disclosed