SCHEMBL19478

SCHEMBL19478

COCCOC1(C(=O)NS(C)(=O)=O)CCCCC1

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.34
SCN9A Q15858 3/20 0.31

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
SCHEMBL28200 0.81 HDAC4 (0.33) NPSR1
SCHEMBL18655 0.75 CYP4F2 (0.36)
SCHEMBL19135 0.74 LMNA (0.34)
SCHEMBL24780370 0.73 NPSR1 (0.31) NPSR1
SCHEMBL12503612 0.72 SPHK1 (0.33)
SCHEMBL30816821 0.67 SMN1; SMN2 (0.35)
SCHEMBL20745607 0.67
SCHEMBL22320610 0.66
Acetic Acid SCHEMBL20746005 0.66
SCHEMBL15031396 0.65 POLB (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2608669-A1 NOVEL PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-07-03 EP claimed
WO-2012027236-A1 NOVEL PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS SCHERING CORPORATION (US) 2012-03-01 WO claimed
EP-2608669-A1 NOVEL PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-07-03 EP disclosed
WO-2012027236-A1 NOVEL PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS SCHERING CORPORATION (US) 2012-03-01 WO disclosed