SCHEMBL7578428

SCHEMBL7578428

O=C(O)C(Nc1ccc(I)cc1F)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 11/20 0.44
MAP2K2 P36507 5/20 0.44
ULK1 O75385 1/20 0.41
IDO1 P14902 1/20 0.39
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 1/20 0.38
SLC6A4 P31645 1/20 0.38
HDAC3 O15379 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
NCOR2 Q9Y618 2/20 0.36
NPC1 O15118 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL7582068 0.85 ULK1 (0.54) ULK1ALDH1A1MAPTHDAC1NPC1
SCHEMBL7577550 0.82 PPARG (0.51) ULK1ALDH1A1L3MBTL1MAPTNPC1
SCHEMBL7574119 0.82 ALDH1A1 (0.56) ULK1ALDH1A1L3MBTL1MAPTNPC1
SCHEMBL2484664 0.81 GAA (0.50) ALDH1A1NPC1HTTRAB9ASMN1; SMN2
SCHEMBL16664407 0.81 GAA (0.50) ALDH1A1NPC1HTTRAB9ASMN1; SMN2
SCHEMBL13241014 0.81 GAA (0.50) ALDH1A1NPC1HTTRAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL2486567 0.80 GAA (0.49) ALDH1A1NPC1HTTRAB9ASMN1; SMN2
SCHEMBL7576884 0.77 ALDH1A1 (0.43) ULK1ALDH1A1NPC1
SCHEMBL12071889 0.76 ULK1 (0.47) ULK1ALDH1A1MAPTHDAC1NPC1
SCHEMBL2483532 0.76 ULK1 (0.47) ULK1ALDH1A1MAPTHDAC1NPC1

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