SCHEMBL1976869

SCHEMBL1976869

CC(C)C1c2nc[nH]c2CCN1C(=O)OC(N)=O

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 3/20 0.64
ALDH1A1 P00352 1/20 0.30
POLB P06746 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
SCHEMBL18953107 0.82 AOC3 (0.62) AOC3ALDH1A1POLB
SCHEMBL1973686 0.82 AOC3 (0.65) AOC3ALDH1A1POLB
SCHEMBL12094922 0.82 AOC3 (0.65) AOC3ALDH1A1POLB
Hydrochloric Acid SCHEMBL18173566 0.81 AOC3 (0.64) AOC3ALDH1A1POLB
SCHEMBL1971904 0.80 AOC3 (0.68) AOC3
SCHEMBL11516578 0.79 AOC3 (0.58) AOC3
SCHEMBL1971623 0.79 AOC3 (0.73) AOC3ALDH1A1
Phosphoric Acid SCHEMBL18173592 0.78 AOC3 (0.60) AOC3ALDH1A1
SCHEMBL1971938 0.78 AOC3 (1.00) AOC3
SCHEMBL1972242 0.78 AOC3 (0.59) AOC3ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2334672-A1 NEW COMPOUNDS I Proximagen Limited (GB) 2011-06-22 EP disclosed
WO-2010031789-A1 NEW COMPOUNDS I BIOVITRUM AB (PUBL) (SE) 2010-03-25 WO disclosed