SCHEMBL6962289

SCHEMBL6962289

O=S(=O)(O)CC1CCOC1.[NaH]

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
INPP5A Q14642 1/20 0.42
AOC2 O75106 2/20 0.37
MAOA P21397 2/20 0.37
AKT1 P31749 1/20 0.32
PIK3CA P42336 1/20 0.32
MTOR P42345 1/20 0.32
PER2 O15055 1/20 0.31
CRY1 Q16526 1/20 0.31
CRY2 Q49AN0 1/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
JAK3 P52333 1/20 0.31
NAMPT P43490 1/20 0.30
NSD2 O96028 1/20 0.30

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
SCHEMBL23160212 0.98 INPP5A (0.44) INPP5AAOC2MAOAAKT1PIK3CA
SCHEMBL1647665 0.98 INPP5A (0.44) INPP5AAOC2MAOAAKT1PIK3CA
SCHEMBL23012533 0.98 INPP5A (0.44) INPP5AAOC2MAOAAKT1PIK3CA
SCHEMBL27984591 0.93 INPP5A (0.38) INPP5AAOC2MAOAAKT1PIK3CA
SCHEMBL26695944 0.86 INPP5A (0.41) INPP5AAOC2MAOA
SCHEMBL3352759 0.85 INPP5A (0.47) INPP5AAOC2MAOAAKT1PIK3CA
SCHEMBL15732885 0.80
SCHEMBL30140447 0.78 AOC2 (0.32) AOC2MAOA
SCHEMBL9050598 0.78 AOC2 (0.32) AOC2MAOA
SCHEMBL6964526 0.77 AOC2 (0.35) AOC2MAOAAKT1PIK3CAMTOR

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-1060178-B1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF ROTAMASE ENZYMES PFIZER (US) 2003-09-03 EP disclosed
US-6610707-B1 Moderate neuronal regeneration and outgrowth and can be used for treating neurological disorders arising from neurodegenerative diseases and nerve damage. PFIZER INC. 2003-08-26 US disclosed
EP-1060178-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF ROTAMASE ENZYMES PFIZER INC. (US) 2000-12-20 EP disclosed
WO-1999045006-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF ROTAMASE ENZYMES PFIZER INC. (US) 1999-09-10 WO disclosed