SCHEMBL5045818

SCHEMBL5045818

CC(CO)c1ncc([N+](=O)[O-])[nH]1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.34
ATM Q13315 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
THRB P10828 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL11832305 0.84 MAPK1 (0.31) MAPK1ATM
SCHEMBL11750132 0.84 CHRM1 (0.35) MAPK1ATMALDH1A1
SCHEMBL11830920 0.84 MAPK1 (0.31) MAPK1ATM
SCHEMBL11831691 0.84 MAPK1 (0.31) MAPK1ATM
SCHEMBL9830964 0.81 MAPK1 (0.36) MAPK1ATM
SCHEMBL11735795 0.81 MAPK1 (0.32) MAPK1ATMALDH1A1
SCHEMBL1441383 0.79 MAPK1 (0.38) MAPK1ATMALDH1A1LMNATHRB
SCHEMBL9953612 0.77 MAPK1 (0.34) MAPK1ATM
SCHEMBL11617678 0.75 ALDH1A1 (0.34) MAPK1ATMALDH1A1LMNATHRB
Alcohol SCHEMBL10696050 0.73 ALDH1A1 (0.39) MAPK1ATMALDH1A1LMNATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1663239-A4 POTASSIUM CHANNEL MEDIATED DELIVERY OF AGENTS THROUGH THE BLOOD-BRAIN BARRIER CEDARS SINAI MEDICAL CENTER (US) 2008-07-23 EP disclosed
EP-1827400-A2 TOPICAL SKIN PATCH CONTAINING XANTHOPHYLLS Nu-Tein Co., Inc. (US) 2007-09-05 EP disclosed
WO-2006062740-A2 TOPICAL SKIN PATCH CONTAINING XANTHOPHYLLS NU-TEIN CO., INC. (US) 2006-06-15 WO disclosed
EP-1663239-A2 POTASSIUM CHANNEL MEDIATED DELIVERY OF AGENTS THROUGH THE BLOOD-BRAIN BARRIER CEDARS-SINAI MEDICAL CENTER (US) 2006-06-07 EP disclosed
WO-2005025511-A2 POTASSIUM CHANNEL MEDIATED DELIVERY OF AGENTS THROUGH THE BLOOD-BRAIN BARRIER CEDARS-SINAI MEDICAL CENTER (US) 2005-03-24 WO disclosed
WO-2001092288-A2 COBALAMIN COMPOUNDS USEFUL AS ANTIBIOTIC AGENTS AND AS IMAGING AGENTS MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2001-12-06 WO disclosed