SCHEMBL4200929

SCHEMBL4200929

Cc1ccc(S(=O)(=O)Nc2nc(C)c(C(=O)O)s2)cc1

nearest known ligand 0.80

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.80
GAA P10253 8/20 0.74
SMN1; SMN2 Q16637 3/20 0.72
KMT2A Q03164 4/20 0.70
MEN1 O00255 3/20 0.65
KDM4E B2RXH2 2/20 0.65
MAPT P10636 1/20 0.65
LMNA P02545 3/20 0.63
CYP2C9 P11712 1/20 0.60

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
SCHEMBL3585297 0.81 SMN1; SMN2 (0.71) ALDH1A1GAASMN1; SMN2KMT2AMEN1
SCHEMBL5911664 0.79 ALDH1A1 (0.77) ALDH1A1GAASMN1; SMN2KMT2AMEN1
SCHEMBL5912285 0.78 ALDH1A1 (0.81) ALDH1A1GAASMN1; SMN2KMT2AMEN1
SCHEMBL1540449 0.77 ALDH1A1 (0.49) ALDH1A1GAASMN1; SMN2KMT2AMEN1
SCHEMBL27706868 0.77 SMN1; SMN2 (0.76) ALDH1A1GAASMN1; SMN2KMT2AMEN1
SCHEMBL11893065 0.76 CA1 (0.60) ALDH1A1GAASMN1; SMN2KMT2AMEN1
SCHEMBL2370145 0.75 ALDH1A1 (0.53) ALDH1A1GAASMN1; SMN2KMT2AMEN1
SCHEMBL5911686 0.75 ALDH1A1 (0.73) ALDH1A1GAASMN1; SMN2KMT2AMEN1
SCHEMBL5911650 0.74 KMT2A (0.87) ALDH1A1GAASMN1; SMN2KMT2AMEN1
SCHEMBL3579796 0.74 NPC1 (0.79) ALDH1A1GAASMN1; SMN2KMT2AMEN1

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-2029138-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS XENON PHARMACEUTICALS INC. (CA) 2009-03-04 EP disclosed
WO-2007130075-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS XENON PHARMACEUTICALS INC. (CA) 2007-11-15 WO disclosed