SCHEMBL7573344

SCHEMBL7573344

O=C(O)C(Nc1cc([N+](=O)[O-])ccc1O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 3/20 0.56
CXCR1 P25024 2/20 0.56
KCNMA1 Q12791 1/20 0.53
MAPT P10636 4/20 0.52
GAA P10253 3/20 0.52
ALDH1A1 P00352 3/20 0.52
HPGD P15428 2/20 0.52
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
PABPC1 P11940 1/20 0.51
DUSP3 P51452 1/20 0.51
PTPN5 P54829 1/20 0.51
PTPN11 Q06124 1/20 0.51
EIF4H Q15056 1/20 0.51
CTDSP1 Q9GZU7 1/20 0.51
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
LMNA P02545 3/20 0.49
HTT P42858 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49

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
SCHEMBL7584758 0.89 CXCR2 (0.56) CXCR2CXCR1KCNMA1MAPTALDH1A1
SCHEMBL7585239 0.85 KMT2A (0.57) MAPTGAAALDH1A1HPGDMEN1
SCHEMBL7574996 0.82 MEN1 (0.66) KCNMA1MAPTGAAALDH1A1HPGD
SCHEMBL14398180 0.82 CRHBP (0.48) CXCR2CXCR1MAPTGAAALDH1A1
SCHEMBL7583883 0.80 LMNA (0.58) KCNMA1MAPTGAAALDH1A1HPGD
SCHEMBL11186123 0.79 SMN1; SMN2 (0.59) CXCR2CXCR1KCNMA1MAPTGAA
SCHEMBL7574185 0.79 HPGD (0.57) CXCR2MAPTALDH1A1HPGDMEN1
SCHEMBL7582132 0.78 ALDH1A1 (0.57) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL7575575 0.77 KCNMA1 (0.54) CXCR2KCNMA1MAPTHPGDMEN1
SCHEMBL7584383 0.77 ALOX5 (0.50) MAPTALDH1A1HPGDMEN1KMT2A

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