SCHEMBL7051539

SCHEMBL7051539

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

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CES1 P23141 4/20 0.39
CAPN9 O14815 1/20 0.35
CASP3 P42574 1/20 0.35
GRIN2D O15399 4/20 0.34
GRIN3B O60391 4/20 0.34
GRIN1 Q05586 4/20 0.34
GRIN2A Q12879 4/20 0.34
GRIN2B Q13224 4/20 0.34
GRIN2C Q14957 4/20 0.34
GRIN3A Q8TCU5 4/20 0.34

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
SCHEMBL7051541 1.00 TSHR (0.39) TSHRALDH1A1CES1CAPN9CASP3
SCHEMBL7048408 0.90 TSHR (0.39) TSHRALDH1A1CES1CAPN9CASP3
SCHEMBL7048406 0.90 TSHR (0.39) TSHRALDH1A1CES1CAPN9CASP3
SCHEMBL7054393 0.90 TSHR (0.42) TSHRALDH1A1CES1CAPN9CASP3
SCHEMBL7054398 0.90 TSHR (0.42) TSHRALDH1A1CES1CAPN9CASP3
SCHEMBL8874938 0.86 TSHR (0.41) TSHRALDH1A1CES1CAPN9CASP3
SCHEMBL8874943 0.86 TSHR (0.41) TSHRALDH1A1CES1CAPN9CASP3
SCHEMBL8873881 0.84 CES1 (0.50) TSHRALDH1A1CES1CAPN9CASP3
SCHEMBL7050080 0.82 CES1 (0.33) TSHRALDH1A1CES1CAPN9CASP3
SCHEMBL7048414 0.82 CES1 (0.46) ALDH1A1CES1

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