SCHEMBL7573365

SCHEMBL7573365

CCOc1ccc(NC(C(=O)O)c2ccccc2)c([N+](=O)[O-])c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.61
RAB9A P51151 10/20 0.61
NPC1 O15118 9/20 0.61
SMN1; SMN2 Q16637 8/20 0.61
MAPK1 P28482 3/20 0.61
PKM P14618 2/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
POLB P06746 1/20 0.61
ALDH1A1 P00352 2/20 0.58
HTT P42858 2/20 0.58
TP53 P04637 1/20 0.58
KMT2A Q03164 6/20 0.53
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
MEN1 O00255 5/20 0.52
CYP1A2 P05177 1/20 0.50
GAA P10253 1/20 0.50
LMNA P02545 1/20 0.48
MCOLN3 Q8TDD5 1/20 0.48

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
SCHEMBL7574989 0.87 RAB9A (0.61) MAPTRAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL7573984 0.79 CRHBP (0.50) MAPTMAPK1ALDH1A1
SCHEMBL7576552 0.77 MEN1 (0.51) MAPTRAB9ANPC1MAPK1PKM
SCHEMBL6716665 0.77 SMN1; SMN2 (0.56) MAPTRAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL11355262 0.77 MAPT (0.63) MAPTRAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL6716681 0.77 SMN1; SMN2 (0.55) MAPTRAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL11295618 0.75 MAPT (0.68) MAPTRAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL7165979 0.74 PKM (0.63) MAPTRAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL15063512 0.74 PKM (0.80) MAPTRAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL6716670 0.74 MAPT (0.54) MAPTRAB9ANPC1SMN1; SMN2MAPK1

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