SCHEMBL7576552

SCHEMBL7576552

O=C(O)C(Nc1ccccc1[N+](=O)[O-])c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
L3MBTL1 Q9Y468 3/20 0.50
MAPK1 P28482 3/20 0.50
TDP1 Q9NUW8 3/20 0.50
ALDH1A1 P00352 2/20 0.50
CASP7 P55210 1/20 0.50
MAPT P10636 5/20 0.48
GAA P10253 3/20 0.48
POLB P06746 2/20 0.48
RAB9A P51151 3/20 0.47
NPSR1 Q6W5P4 3/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP3A4 P08684 1/20 0.47
NPC1 O15118 2/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
KCNMA1 Q12791 1/20 0.46
PKM P14618 1/20 0.45

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
SCHEMBL7573984 0.84 CRHBP (0.50) MAPK1ALDH1A1MAPTNPSR1CRHBP
SCHEMBL9029961 0.83 KMT2A (0.48) MEN1KMT2AL3MBTL1MAPK1TDP1
SCHEMBL9030000 0.81 MAPT (0.47) MEN1KMT2AL3MBTL1MAPK1TDP1
SCHEMBL7574989 0.80 RAB9A (0.61) MEN1KMT2AMAPK1ALDH1A1MAPT
SCHEMBL24202473 0.79 ALDH1A1 (0.62) MEN1KMT2AL3MBTL1MAPK1TDP1
SCHEMBL7419391 0.79 ALDH1A1 (0.62) MEN1KMT2AL3MBTL1MAPK1TDP1
SCHEMBL31722182 0.79 ALDH1A1 (0.62) MEN1KMT2AL3MBTL1MAPK1TDP1
SCHEMBL1985402 0.79 ALDH1A1 (0.62) MEN1KMT2AL3MBTL1MAPK1TDP1
SCHEMBL27791616 0.79 MEN1 (0.53) MEN1KMT2AL3MBTL1MAPK1TDP1
SCHEMBL6404329 0.79 CYP1A2 (0.55) MEN1KMT2AL3MBTL1MAPK1TDP1

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-1242069-A2 ALBUMIN-BINDING COMPOUNDS THAT PREVENT NONENZYMATIC GLYCATION AND THAT MAY BE USED FOR TREATMENT OF GLYCATION-RELATED PATHOLOGIES EXOCELL, INC. (US) 2002-09-25 EP disclosed
WO-2001003684-A2 ALBUMIN-BINDING COMPOUNDS THAT PREVENT NONENZYMATIC GLYCATION AND THAT MAY BE USED FOR TREATMENT OF GLYCATION-RELATED PATHOLOGIES EXOCELL, INC. (US) 2001-01-18 WO disclosed