SCHEMBL20053922

SCHEMBL20053922

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

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.32
HPGD P15428 1/20 0.32
MAPT P10636 3/20 0.32
ALDH1A1 P00352 2/20 0.32
HCAR3 P49019 1/20 0.31
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 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
SCHEMBL20460999 0.82 ADH1B (0.35)
SCHEMBL20053920 0.82 ALDH1A1 (0.30) ALDH1A1
SCHEMBL22060817 0.74
SCHEMBL22061464 0.72
SCHEMBL21850201 0.72 MAPT (0.32) MAPT
SCHEMBL21973804 0.72
SCHEMBL22162200 0.71 MAPT (0.30) MAPT
SCHEMBL5026870 0.71
SCHEMBL18926374 0.71 DDAH1 (0.32)
SCHEMBL20715628 0.70 KDM4E (0.33) HPGDMAPT

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
WO-2020216371-A1 EGFR INHIBITOR AND APPLICATION THEREOF 江苏先声药业有限公司 2020-10-29 WO 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