SCHEMBL10797141

SCHEMBL10797141

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 1/20 0.48
MAPT P10636 8/20 0.47
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
LMNA P02545 4/20 0.47
ALDH1A1 P00352 4/20 0.47
MAPK1 P28482 3/20 0.47
GAA P10253 2/20 0.47
POLB P06746 2/20 0.47
XBP1 P17861 1/20 0.47
HSP90AA1 P07900 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.41
GALR3 O60755 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
THRB P10828 1/20 0.41
VCAM1 P19320 2/20 0.41
ABCG2 Q9UNQ0 2/20 0.40
RAB9A P51151 2/20 0.40
KDM4E B2RXH2 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
SCHEMBL11152165 0.88 MERTK (0.58) MERTKMAPTMEN1KMT2ALMNA
SCHEMBL11588564 0.88 MERTK (0.48) MERTKMAPTMEN1KMT2ALMNA
SCHEMBL10797198 0.87 KMT2A (0.51) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL10799930 0.84 MEN1 (0.48) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL10796503 0.84 MEN1 (0.54) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL10800838 0.84 MEN1 (0.48) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL10796992 0.84 MEN1 (0.48) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL10797256 0.83 KMT2A (0.64) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL10799865 0.83 MERTK (0.53) MERTKMAPTMEN1KMT2ALMNA
SCHEMBL10796950 0.81 MAPK1 (0.49) MAPTMEN1KMT2ALMNAALDH1A1

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