SCHEMBL11299234

SCHEMBL11299234

CN(C)C1=CC(=O)C=CC1=O.[N-]=[N+]=N.[N-]=[N+]=[N-]

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ERBB2 P04626 1/20 0.33
▸ MALT1 Q9UDY8 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ ALOX12 P18054 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL5179874 0.87 ERBB2 (0.41) ERBB2MALT1MEN1ALDH1A1MAPT
Benzoquinone SCHEMBL27254 0.72 ALDH1A1 (0.53) ALDH1A1RECQLTDP1
SCHEMBL11302513 0.71 MEN1 (0.34) ERBB2MEN1ALDH1A1MAPTHPGD
SCHEMBL8906167 0.71 ALDH1A1 (0.37) MEN1ALDH1A1MAPTHPGDALOX12
Benzoquinone SCHEMBL11519889 0.70 ALDH1A1 (0.50) ALDH1A1RECQLTDP1
Benzoquinone SCHEMBL2813322 0.69 ALDH1A1 (0.57) MEN1ALDH1A1MAPTHPGDALOX12
SCHEMBL11305926 0.69 ERBB2 (0.31) ERBB2MEN1ALDH1A1MAPTHPGD
SCHEMBL10446230 0.67 MALT1 (0.50) MALT1MEN1ALDH1A1KMT2A
SCHEMBL8756842 0.67 ALDH1A1 (0.35) ERBB2MEN1ALDH1A1MAPTHPGD
SCHEMBL11309696 0.66 TDP1 (0.36) MEN1KMT2ATDP1

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-4280819-A FUEL ADDITIVES ALSO FOR JET FUELS GULF RESEARCH & DEVELOPMENT COMPANY (US) 1981-07-28 — — US disclosed
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