SCHEMBL7058046

SCHEMBL7058046

Nc1sc(-c2ccccc2)cc1C(=O)Nc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.73
MAPT P10636 4/20 0.73
GFER P55789 1/20 0.73
CHEK1 O14757 1/20 0.68
ALOX15 P16050 8/20 0.67
ALDH1A1 P00352 3/20 0.67
HPGD P15428 3/20 0.67
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
IKBKB O14920 1/20 0.65
ADORA1 P30542 1/20 0.61
SLC5A2 P31639 1/20 0.59
RAB9A P51151 2/20 0.55
NPC1 O15118 1/20 0.55
PPARG P37231 1/20 0.55
NCOA2 Q15596 1/20 0.55
NCOA1 Q15788 1/20 0.55
NCOA3 Q9Y6Q9 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
HSD17B10 Q99714 1/20 0.55

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
SCHEMBL7059499 0.85 GAA (0.73) GAAMAPTGFERCHEK1ALOX15
SCHEMBL7057166 0.83 GAA (0.75) GAAMAPTGFERCHEK1ALOX15
SCHEMBL7055239 0.81 CHEK1 (1.00) CHEK1IKBKBJAK2
SCHEMBL15960089 0.81 GAA (0.75) GAAMAPTGFERALOX15ALDH1A1
SCHEMBL1062225 0.80 GAA (1.00) GAAMAPTGFERALOX15ALDH1A1
SCHEMBL8290620 0.79 GAA (0.74) GAAMAPTGFERCHEK1ALOX15
SCHEMBL3510525 0.79 IKBKB (1.00) GAAMAPTGFERALOX15ALDH1A1
SCHEMBL20915155 0.78 GAA (0.72) GAAMAPTGFERALOX15ALDH1A1
SCHEMBL1563613 0.77 GAA (1.00) GAAMAPTGFERALOX15ALDH1A1
SCHEMBL4057174 0.76 ADORA1 (1.00) GAAMAPTGFERALOX15ALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003029241-A1 CHK1 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-04-10 WO disclosed