SCHEMBL10797294

SCHEMBL10797294

CC(C)(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
GALR3 O60755 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
RAPGEF4 Q8WZA2 1/20 0.41
KIF11 P52732 1/20 0.41
HSP90AA1 P07900 1/20 0.41
P2RX1 P51575 3/20 0.41
ALDH1A1 P00352 4/20 0.40
CYP3A4 P08684 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
HIF1A Q16665 1/20 0.40
TXNRD1 Q16881 1/20 0.40
TXNRD3 Q86VQ6 1/20 0.40
TXNRD2 Q9NNW7 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL11586472 0.91 MEN1 (0.44) MEN1KMT2AL3MBTL1RAPGEF4KIF11
SCHEMBL10796950 0.89 MAPK1 (0.49) MEN1KMT2AL3MBTL1GALR3HTT
SCHEMBL10801009 0.88 KIF11 (0.58) MEN1KMT2AL3MBTL1RAPGEF4KIF11
SCHEMBL11150580 0.88 MAPT (0.48) MEN1KMT2AL3MBTL1RAPGEF4KIF11
SCHEMBL10797198 0.81 KMT2A (0.51) MEN1KMT2AL3MBTL1GALR3HTT
SCHEMBL10799930 0.81 MEN1 (0.48) MEN1KMT2AL3MBTL1GALR3HTT
SCHEMBL11590982 0.80 ALDH1A1 (0.56) MEN1KMT2AL3MBTL1RAPGEF4KIF11
SCHEMBL10797256 0.80 KMT2A (0.64) MEN1KMT2AL3MBTL1GALR3HTT
SCHEMBL11587736 0.79 MAPK1 (0.49) MEN1KMT2AHTTSMN1; SMN2KIF11
SCHEMBL11235688 0.79 KIF11 (0.62) MEN1KMT2AL3MBTL1RAPGEF4KIF11

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