SCHEMBL7578154

SCHEMBL7578154

O=C(O)C(Nc1cccc(F)c1F)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
RPS6KB1 P23443 2/20 0.39
AURKA O14965 1/20 0.39
CES2 O00748 1/20 0.38
BCHE P06276 1/20 0.38
CES1 P23141 1/20 0.38
HTT P42858 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL13241014 0.88 GAA (0.50) GAAALDH1A1SMN1; SMN2LMNARAB9A
SCHEMBL2484664 0.88 GAA (0.50) GAAALDH1A1SMN1; SMN2LMNARAB9A
SCHEMBL16664407 0.88 GAA (0.50) GAAALDH1A1SMN1; SMN2LMNARAB9A
SCHEMBL7576884 0.87 ALDH1A1 (0.43) GAAALDH1A1LMNANPC1MEN1
Hydrochloric Acid SCHEMBL2486567 0.87 GAA (0.49) GAAALDH1A1SMN1; SMN2LMNARAB9A
SCHEMBL7578049 0.86 GAA (0.42) GAAALDH1A1SMN1; SMN2LMNARAB9A
SCHEMBL7576115 0.81 KMT2A (0.46) GAAALDH1A1LMNAKMT2ARPS6KB1
SCHEMBL7584286 0.81 ALDH1A1 (0.48) GAAALDH1A1SMN1; SMN2LMNARAB9A
SCHEMBL2488739 0.81 SMN1; SMN2 (0.47) GAAALDH1A1SMN1; SMN2LMNARAB9A
SCHEMBL839473 0.78 MEN1 (0.50) GAAALDH1A1SMN1; SMN2LMNARAB9A

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