SCHEMBL7573984

SCHEMBL7573984

O=C(O)C(Nc1ccc(O)cc1[N+](=O)[O-])c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
DOT1L Q8TEK3 1/20 0.48
HCAR3 P49019 6/20 0.46
ALDH1A1 P00352 3/20 0.45
KCNMA1 Q12791 2/20 0.43
ABCB1 P08183 1/20 0.43
ABCC1 P33527 1/20 0.43
MAPT P10636 3/20 0.43
MAPK1 P28482 1/20 0.42
BDKRB2 P30411 1/20 0.42
BDKRB1 P46663 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41

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
SCHEMBL7576552 0.84 MEN1 (0.51) CRHBPCRHR2DOT1LALDH1A1KCNMA1
SCHEMBL7574989 0.82 RAB9A (0.61) CRHBPCRHR2ALDH1A1MAPTMAPK1
SCHEMBL7573365 0.79 MAPT (0.61) ALDH1A1MAPTMAPK1
SCHEMBL7584758 0.78 CXCR2 (0.56) CRHBPCRHR2ALDH1A1KCNMA1MAPT
SCHEMBL7573344 0.76 CXCR2 (0.56) CRHBPCRHR2ALDH1A1KCNMA1MAPT
SCHEMBL7582482 0.74 CA1 (0.46) ALDH1A1MAPT
SCHEMBL6001852 0.74 MAPT (0.51) CRHBPCRHR2HCAR3ALDH1A1KCNMA1
SCHEMBL129286 0.74 HCAR3 (0.52) CRHBPCRHR2HCAR3ALDH1A1KCNMA1
SCHEMBL1437915 0.74 HCAR3 (0.68) HCAR3ALDH1A1MAPTMAPK1
SCHEMBL14398180 0.74 CRHBP (0.48) CRHBPCRHR2ALDH1A1MAPTNPSR1

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