SCHEMBL10796809

SCHEMBL10796809

CC(C)(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Nc1ccc(F)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.44
MAPT P10636 6/20 0.44
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 3/20 0.44
HTT P42858 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 3/20 0.43
ATM Q13315 1/20 0.43
HSPB1 P04792 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
GALR3 O60755 1/20 0.41
HIF1A Q16665 1/20 0.39
POLB P06746 1/20 0.38
HSP90AA1 P07900 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
MITF O75030 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL10798070 0.90 ALDH1A1 (0.42) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL11137481 0.89 ATM (0.44) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL11735174 0.87 TDP1 (0.53) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL10797274 0.85 KMT2A (0.45) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL10799930 0.84 MEN1 (0.48) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL10797447 0.83 MAPT (0.51) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL10796751 0.82 ATM (0.47) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL11593599 0.80 EPAS1 (0.44) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL11591036 0.80 POLB (0.48) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL10797002 0.80 MAPK1 (0.48) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2

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