SCHEMBL7052937

SCHEMBL7052937

O=C1Nc2cc(F)c([N+](=O)[O-])c(F)c2/C(=N/O)C1=O

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CAPN9 O14815 1/20 0.35
CASP3 P42574 1/20 0.35
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
GRIN3A Q8TCU5 1/20 0.32
MEN1 O00255 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
SCHEMBL7052942 1.00 CAPN9 (0.35) CAPN9CASP3GRIN2DGRIN3BGRIN1
SCHEMBL7047361 0.91 CAPN9 (0.33) CAPN9CASP3GRIN2DGRIN3BGRIN1
SCHEMBL7047359 0.91 CAPN9 (0.33) CAPN9CASP3GRIN2DGRIN3BGRIN1
SCHEMBL7050506 0.90 CAPN9 (0.35) CAPN9CASP3GRIN2DGRIN3BGRIN1
SCHEMBL7050508 0.90 CAPN9 (0.35) CAPN9CASP3GRIN2DGRIN3BGRIN1
SCHEMBL15712471 0.86 CAPN9 (0.41) CAPN9CASP3GRIN2DGRIN3BGRIN1
SCHEMBL8873903 0.86 CAPN9 (0.34) CAPN9CASP3GRIN2DGRIN3BGRIN1
SCHEMBL8873910 0.86 CAPN9 (0.34) CAPN9CASP3GRIN2DGRIN3BGRIN1
SCHEMBL7055052 0.82 GSK3A (0.30) CAPN9CASP3
SCHEMBL7050520 0.82 CAPN9 (0.32) CAPN9CASP3GRIN2DGRIN3BGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0706396-B1 1,2,3,4-TETRAHYDROQUINOLINE-2,3,4-TRIONE-3 OR 4-OXIMES AND USE OREGON STATE (US) 2003-05-02 EP disclosed
US-5652368-A NERVOUS SYSTEM DISORDERS, ALZHEIMER'S DISEASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1997-07-29 US disclosed
US-5475007-A Preventing convulsions THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1995-12-12 US disclosed