SCHEMBL7057166

SCHEMBL7057166

CNC(=O)c1cc(-c2ccccc2)sc1N

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.75
MAPT P10636 4/20 0.75
GFER P55789 1/20 0.75
ALDH1A1 P00352 4/20 0.69
HPGD P15428 4/20 0.69
MEN1 O00255 2/20 0.69
KMT2A Q03164 2/20 0.69
ADORA1 P30542 1/20 0.68
ALOX15 P16050 8/20 0.67
IKBKB O14920 2/20 0.67
CHEK1 O14757 1/20 0.66
MAP4K4 O95819 1/20 0.66
RAB9A P51151 2/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
HSD17B10 Q99714 1/20 0.59
JAK2 O60674 1/20 0.59
JAK1 P23458 1/20 0.59
TYK2 P29597 1/20 0.59
JAK3 P52333 1/20 0.59
TUBB4A P04350 1/20 0.56

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
SCHEMBL7054417 0.85 TUBB4A (0.58) GAAMAPTGFERALDH1A1HPGD
SCHEMBL7058046 0.83 GAA (0.73) GAAMAPTGFERALDH1A1HPGD
SCHEMBL7059499 0.83 GAA (0.73) GAAMAPTGFERALDH1A1HPGD
SCHEMBL20915155 0.82 GAA (0.72) GAAMAPTGFERALDH1A1HPGD
SCHEMBL15960089 0.82 GAA (0.75) GAAMAPTGFERALDH1A1HPGD
SCHEMBL1062225 0.82 GAA (1.00) GAAMAPTGFERALDH1A1HPGD
SCHEMBL1563613 0.81 GAA (1.00) GAAMAPTGFERALDH1A1HPGD
SCHEMBL4057174 0.81 ADORA1 (1.00) GAAMAPTGFERALDH1A1HPGD
SCHEMBL8290620 0.81 GAA (0.74) GAAMAPTGFERALDH1A1HPGD
SCHEMBL3510525 0.80 IKBKB (1.00) GAAMAPTGFERALDH1A1HPGD

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