SCHEMBL13537401

SCHEMBL13537401

CN(C)C(=O)Cn1ccc2ccc(N=O)cc21

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 20/20 0.43
▸ GRIN1 Q05586 7/20 0.40
▸ CYP2C9 P11712 1/20 0.39

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
SCHEMBL13537609 0.81 KDM4E (0.46) CYP2C9
SCHEMBL3354522 0.80 GRIN2B (0.45) GRIN2BGRIN1CYP2C9
SCHEMBL13537340 0.76 DRD2 (0.40) —
SCHEMBL8568248 0.76 KMT2A (0.65) GRIN2B
SCHEMBL3356633 0.76 HTR7 (0.50) GRIN2BGRIN1
SCHEMBL13537353 0.76 PTGS2 (0.40) GRIN2B
SCHEMBL21936469 0.72 GRIN2B (0.55) GRIN2BGRIN1
SCHEMBL20939415 0.70 GRIN2B (0.43) GRIN2BGRIN1CYP2C9
SCHEMBL13222511 0.69 CYP2A6 (0.53) —
SCHEMBL23799893 0.69 GRIN2B (0.51) GRIN2BGRIN1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2141163-A1 Substituted thiazolidinones, their production and utilisation as medicine Bayer Schering Pharma AG (DE) 2010-01-06 — — EP disclosed
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