SCHEMBL9980414

SCHEMBL9980414

CNS(=O)(=O)c1ccc(C)c(N)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.65
SMN1; SMN2 Q16637 2/20 0.53
GAA P10253 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.50
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA12 O43570 2/20 0.47
CA3 P07451 2/20 0.47
CA4 P22748 2/20 0.47
CA6 P23280 2/20 0.47
CA5A P35218 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
CA13 Q8N1Q1 2/20 0.47
CA14 Q9ULX7 2/20 0.47
CA5B Q9Y2D0 2/20 0.47
TAS2R14 Q9NYV8 1/20 0.46
HTT P42858 1/20 0.46
ALDH1A1 P00352 2/20 0.44
TNNI3K Q59H18 2/20 0.44

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
SCHEMBL3219444 0.85 LMNA (0.59) LMNASMN1; SMN2GAAL3MBTL1CA1
SCHEMBL10154281 0.82 LMNA (0.71) LMNASMN1; SMN2GAAL3MBTL1CA1
SCHEMBL1503408 0.79 MAPT (0.57) LMNASMN1; SMN2GAACA1CA2
SCHEMBL11122473 0.79 MAPT (0.57) LMNASMN1; SMN2GAACA1CA2
SCHEMBL1808661 0.79 VCAM1 (0.58) LMNASMN1; SMN2GAAL3MBTL1CA1
SCHEMBL6933412 0.79 GAA (0.63) LMNASMN1; SMN2GAAL3MBTL1CA1
SCHEMBL1804387 0.79 CA1 (0.50) LMNASMN1; SMN2GAAL3MBTL1CA1
SCHEMBL17938382 0.79 LMNA (0.49) LMNASMN1; SMN2GAAL3MBTL1CA1
SCHEMBL1808891 0.78 LMNA (0.51) LMNASMN1; SMN2GAAL3MBTL1CA1
SCHEMBL1368132 0.78 G6PD (0.55) LMNASMN1; SMN2GAAL3MBTL1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019111225-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF NON‑ALCOHOLIC STEATOHEPATITIS AVALIV THERAPEUTICS (US) 2019-06-13 WO disclosed
WO-2011149827-A1 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC (US) 2011-12-01 WO disclosed
WO-2011149827-A1 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC (US) 2011-12-01 WO disclosed