SCHEMBL7051585

SCHEMBL7051585

CC(=O)ON=C1C(=O)Nc2c(c(Cl)cc(Cl)c2[N+](=O)[O-])C1=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.34
ALDH1A1 P00352 1/20 0.34
UCHL3 P15374 4/20 0.33
UCHL1 P09936 4/20 0.33
CES1 P23141 1/20 0.32
CCNB2 O95067 2/20 0.31
CDK1 P06493 2/20 0.31
CCNB1 P14635 2/20 0.31
GSK3A P49840 2/20 0.31
GSK3B P49841 2/20 0.31
CDK5 Q00535 2/20 0.31
CDK5R1 Q15078 2/20 0.31
CCNB3 Q8WWL7 2/20 0.31
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2A Q12879 1/20 0.30
GRIN2B Q13224 1/20 0.30
GRIN2C Q14957 1/20 0.30
GRIN3A Q8TCU5 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
SCHEMBL7052190 0.91 TSHR (0.34) TSHRALDH1A1UCHL3UCHL1CES1
SCHEMBL7052613 0.84 MAPT (0.39) ALDH1A1
SCHEMBL7051101 0.83 ALDH1A1 (0.33) TSHRALDH1A1UCHL3UCHL1CES1
SCHEMBL7051987 0.82 TSHR (0.40) TSHRALDH1A1CES1GRIN2DGRIN3B
SCHEMBL7051984 0.82 TSHR (0.40) TSHRALDH1A1CES1GRIN2DGRIN3B
SCHEMBL7054500 0.81 TSHR (0.36) TSHRALDH1A1UCHL3UCHL1CES1
SCHEMBL7054965 0.81 TSHR (0.36) TSHRUCHL3UCHL1CES1CCNB2
SCHEMBL7050080 0.76 CES1 (0.33) TSHRALDH1A1UCHL3UCHL1CES1
SCHEMBL7049393 0.76 TSHR (0.36) TSHRALDH1A1UCHL3UCHL1CES1
SCHEMBL7055918 0.75 MAPT (0.39) ALDH1A1

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