SCHEMBL20054027

SCHEMBL20054027

N=C/C(=C\N[C@@H]1CCNC1)[N+](=O)[O-]

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.33
EPHX1 P07099 1/20 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
SCHEMBL21850220 1.00 KCNH2 (0.33) KCNH2EPHX1
SCHEMBL22272085 0.81 ADH1B (0.34)
SCHEMBL20461226 0.74 EPHX1 (0.33) EPHX1
SCHEMBL21765675 0.73
SCHEMBL20053908 0.73 ADH1B (0.32)
SCHEMBL30041132 0.69
SCHEMBL30042408 0.69
SCHEMBL21850193 0.69 EPHX2 (0.31)
SCHEMBL20461153 0.69 MAPT (0.36)
SCHEMBL21850224 0.68

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-3357921-A2 BIARYL COMPOUNDS USEFUL FOR THE TREATMENT OF HUMAN DISEASES IN ONCOLOGY, NEUROLOGY AND IMMUNOLOGY Sunesis Pharmaceuticals, Inc. (US) 2018-08-08 EP disclosed
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