SCHEMBL20053908

SCHEMBL20053908

N=C/C(=C\NC1CCC(C=O)CC1)[N+](=O)[O-]

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.32
ADH1A P07327 1/20 0.32

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
SCHEMBL22272085 0.90 ADH1B (0.34) ADH1BADH1A
SCHEMBL20461226 0.82 EPHX1 (0.33)
SCHEMBL20461064 0.79
SCHEMBL20461153 0.76 MAPT (0.36)
SCHEMBL21765675 0.75
SCHEMBL21850220 0.73 KCNH2 (0.33)
SCHEMBL20054027 0.73 KCNH2 (0.33)
SCHEMBL21850193 0.73 EPHX2 (0.31)
SCHEMBL21280196 0.70 HRH3 (0.31)
SCHEMBL21850224 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3080103-B1 BIARYL COMPOUNDS USEFUL FOR THE TREATMENT OF HUMAN DISEASES IN ONCOLOGY, NEUROLOGY AND IMMUNOLOGY BIOGEN MA INC (US) 2018-04-18 EP disclosed