SCHEMBL7875424

SCHEMBL7875424

[CH2]c1ccccc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 6/20 0.68
MEN1 O00255 7/20 0.68
KMT2A Q03164 7/20 0.68
NPC1 O15118 2/20 0.55
ALDH1A1 P00352 3/20 0.54
MAPT P10636 2/20 0.51
RAB9A P51151 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL8334964 0.86 ALOX5 (0.70) ALOX5MEN1KMT2ANPC1ALDH1A1
SCHEMBL28328243 0.84 MEN1 (0.70) ALOX5MEN1KMT2ANPC1ALDH1A1
SCHEMBL6864203 0.84 ALOX5 (0.67) ALOX5MEN1KMT2ANPC1ALDH1A1
SCHEMBL5486512 0.81 ALOX5 (0.64) ALOX5MEN1KMT2ANPC1ALDH1A1
SCHEMBL10904297 0.80 ALOX5 (1.00) ALOX5MEN1KMT2ANPC1MAPT
SCHEMBL1708181 0.79 ALOX5 (0.62) ALOX5MEN1KMT2ANPC1ALDH1A1
SCHEMBL29594517 0.78 MEN1 (0.73) ALOX5MEN1KMT2AMAPTL3MBTL1
SCHEMBL6865670 0.77 ALOX5 (0.67) ALOX5MEN1KMT2ANPC1ALDH1A1
SCHEMBL8335659 0.77 ALOX5 (0.65) ALOX5MEN1KMT2ANPC1ALDH1A1
SCHEMBL1197179 0.77 HDAC3 (0.61) MEN1KMT2ANPC1MAPTRAB9A

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
WO-2001056358-A2 ENHANCED PROPERTIED PESTICIDES ROHM AND HAAS COMPANY (US) 2001-08-09 WO disclosed