SCHEMBL10797447

SCHEMBL10797447

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.51
MEN1 O00255 8/20 0.51
KMT2A Q03164 8/20 0.51
MAPK1 P28482 6/20 0.51
TDP1 Q9NUW8 6/20 0.51
L3MBTL1 Q9Y468 4/20 0.51
ALDH1A1 P00352 3/20 0.51
HTT P42858 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
GALR3 O60755 1/20 0.46
POLB P06746 1/20 0.46
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
KDM4E B2RXH2 2/20 0.44
CTDSP1 Q9GZU7 1/20 0.42
GFER P55789 1/20 0.41
HSP90AA1 P07900 1/20 0.41
NPC1 O15118 1/20 0.41
MITF O75030 1/20 0.41
LMNA P02545 1/20 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
SCHEMBL10797002 0.88 MAPK1 (0.48) MAPTMEN1KMT2AMAPK1TDP1
SCHEMBL11587734 0.86 MEN1 (0.51) MAPTMEN1KMT2AMAPK1TDP1
SCHEMBL10799904 0.84 MAPT (0.52) MAPTMEN1KMT2AMAPK1TDP1
SCHEMBL10797198 0.84 KMT2A (0.51) MAPTMEN1KMT2AMAPK1TDP1
SCHEMBL10799427 0.83 MAPK1 (0.43) MAPTMEN1KMT2AMAPK1TDP1
SCHEMBL10796809 0.83 ALDH1A1 (0.44) MAPTMEN1KMT2AMAPK1TDP1
SCHEMBL10796741 0.82 MEN1 (0.52) MAPTMEN1KMT2AMAPK1TDP1
SCHEMBL10801994 0.81 ALDH1A1 (0.45) MAPTMEN1KMT2AMAPK1TDP1
SCHEMBL10798070 0.81 ALDH1A1 (0.42) MAPTMEN1KMT2AMAPK1TDP1
SCHEMBL10797256 0.81 KMT2A (0.64) MAPTMEN1KMT2AMAPK1TDP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4670596-A INSECTICIDE, MITICIDE ELI LILLY AND COMPANY (US) 1987-06-02 US claimed
US-4670596-A INSECTICIDE, MITICIDE ELI LILLY AND COMPANY (US) 1987-06-02 US disclosed