SCHEMBL10796992

SCHEMBL10796992

CC(C)(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Nc1ccc(I)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.48
KMT2A Q03164 9/20 0.48
HSP90AA1 P07900 1/20 0.48
MAPT P10636 8/20 0.47
MAPK1 P28482 5/20 0.47
ALDH1A1 P00352 4/20 0.47
LMNA P02545 4/20 0.47
POLB P06746 3/20 0.47
GAA P10253 2/20 0.47
XBP1 P17861 1/20 0.47
L3MBTL1 Q9Y468 5/20 0.44
HTT P42858 2/20 0.44
GALR3 O60755 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 3/20 0.40
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
MITF O75030 1/20 0.39
RAB9A P51151 1/20 0.39
CXCR2 P25025 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
SCHEMBL10797198 0.91 KMT2A (0.51) MEN1KMT2AHSP90AA1MAPTMAPK1
SCHEMBL11587093 0.87 MEN1 (0.48) MEN1KMT2AHSP90AA1MAPTMAPK1
SCHEMBL10800838 0.87 MEN1 (0.48) MEN1KMT2AHSP90AA1MAPTMAPK1
SCHEMBL10796503 0.87 MEN1 (0.54) MEN1KMT2AHSP90AA1MAPTMAPK1
SCHEMBL10799930 0.87 MEN1 (0.48) MEN1KMT2AHSP90AA1MAPTMAPK1
SCHEMBL10797256 0.86 KMT2A (0.64) MEN1KMT2AHSP90AA1MAPTMAPK1
SCHEMBL11735792 0.86 MEN1 (0.57) MEN1KMT2AHSP90AA1MAPTMAPK1
SCHEMBL10796950 0.85 MAPK1 (0.49) MEN1KMT2AHSP90AA1MAPTMAPK1
SCHEMBL10797141 0.84 MERTK (0.48) MEN1KMT2AHSP90AA1MAPTMAPK1
SCHEMBL10799925 0.82 TYMS (0.46) 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-4670596-A INSECTICIDE, MITICIDE ELI LILLY AND COMPANY (US) 1987-06-02 US disclosed