SCHEMBL13705495

SCHEMBL13705495

CC/C(=N\Nc1ccc2c(c1)c1ccccc1n2CC)[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.55
MEN1 O00255 8/20 0.55
KMT2A Q03164 8/20 0.55
NPSR1 Q6W5P4 1/20 0.55
LMNA P02545 6/20 0.54
L3MBTL1 Q9Y468 1/20 0.53
KDM4E B2RXH2 5/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
NPY5R Q15761 4/20 0.51
ALDH1A1 P00352 3/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
HPGD P15428 1/20 0.49
DRD3 P35462 1/20 0.48
RORC P51449 1/20 0.47

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
SCHEMBL924596 0.76 RORC (0.56) MAPTMEN1KMT2ANPSR1LMNA
SCHEMBL14199692 0.73 MAPT (0.82) MAPTMEN1KMT2ANPSR1LMNA
SCHEMBL25179738 0.73 NPSR1 (0.68) MAPTMEN1KMT2ANPSR1LMNA
SCHEMBL13705490 0.72 ALDH1A1 (0.54) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL2852620 0.72 NPSR1 (0.67) MAPTMEN1KMT2ANPSR1LMNA
SCHEMBL7722815 0.71 NPSR1 (1.00) MAPTMEN1KMT2ANPSR1LMNA
SCHEMBL11052440 0.71 CYP3A4 (0.48) MAPTMEN1KMT2ALMNAL3MBTL1
SCHEMBL4727871 0.71 MAPT (1.00) MAPTMEN1KMT2ANPSR1LMNA
SCHEMBL1593423 0.71 MAPT (0.79) MAPTMEN1KMT2ANPSR1LMNA
SCHEMBL6979660 0.71 NPSR1 (0.66) MAPTMEN1KMT2ANPSR1LMNA

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-7592374-B2 Insecticidal nitromethylene compounds CROMPTON CORPORATION (US) 2009-09-22 US disclosed
US-7592374-B2 Insecticidal nitromethylene compounds CROMPTON CORPORATION (US) 2009-09-22 US disclosed