SCHEMBL7543473

SCHEMBL7543473

O=[N+]([O-])[O-].O=[N+]([O-])[n+]1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 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
SCHEMBL503026 0.97
SCHEMBL9453849 0.87
SCHEMBL11597968 0.75 MEN1 (0.38) MEN1KMT2AALDH1A1LMNA
SCHEMBL9624067 0.71 SLC22A2 (0.36) MEN1KMT2AALDH1A1LMNA
SCHEMBL9290779 0.71 MEN1 (0.33) MEN1KMT2AALDH1A1LMNA
Benzene SCHEMBL27592040 0.69 MEN1 (0.55) MEN1KMT2AALDH1A1LMNA
Hydrogen Peroxide SCHEMBL28709584 0.65 MEN1 (0.60) MEN1KMT2AALDH1A1LMNA
SCHEMBL651428 0.64 MEN1 (0.75) MEN1KMT2AALDH1A1LMNA
SCHEMBL1476442 0.60 MEN1 (0.67) MEN1KMT2AALDH1A1LMNA
Water SCHEMBL5493401 0.60 MEN1 (0.67) MEN1KMT2AALDH1A1

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
EP-0923510-B1 Method for nitration of aromatic compounds NORSK HYDRO AS (NO) 2002-05-22 EP disclosed
US-6133448-A AROMATIC COMPOUND IS ADDED TO A SOLUTION OF DINITROGEN PENTAOXIDE IN AN ORGANIC SOLVENT AND THE PROVIDED REACTION MIXTURE IS THEREAFTER ADDED INTO WATER COMPRISING A NUCLEOPHILE NORSK HYDRO ASA (NO) 2000-10-17 US disclosed