SCHEMBL1722296

SCHEMBL1722296

CC(C)(C)OC(=O)Nc1ncc(CN2CCCC2)s1

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.76
OGA O60502 15/20 0.54
HTT P42858 1/20 0.54
MAPK1 P28482 1/20 0.46

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
SCHEMBL460094 0.91 SMN1; SMN2 (0.62) SMN1; SMN2OGAHTTMAPK1
SCHEMBL16113454 0.86 SMN1; SMN2 (1.00) SMN1; SMN2OGAHTTMAPK1
SCHEMBL3761918 0.83 SMN1; SMN2 (0.81) SMN1; SMN2OGAHTT
SCHEMBL13128868 0.82 SMN1; SMN2 (0.53) SMN1; SMN2OGAHTT
SCHEMBL20281964 0.82 SMN1; SMN2 (0.74) SMN1; SMN2OGA
SCHEMBL16113448 0.81 SMN1; SMN2 (0.76) SMN1; SMN2OGA
SCHEMBL8834765 0.80 CCNE1 (0.52) SMN1; SMN2OGAMAPK1
SCHEMBL1031633 0.80 SMN1; SMN2 (0.47) SMN1; SMN2OGAHTTMAPK1
SCHEMBL28166585 0.80 SMN1; SMN2 (0.53) SMN1; SMN2OGAHTTMAPK1
SCHEMBL22004720 0.79 OGA (0.65) SMN1; SMN2OGA

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
EP-2403833-A1 8-SUBSTITUTED QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2012-01-11 EP disclosed
WO-2010101949-A1 8-SUBSTITUTED QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2010-09-10 WO disclosed
WO-2010101949-A1 8-SUBSTITUTED QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2010-09-10 WO disclosed