SCHEMBL5801201

SCHEMBL5801201

O=CC(c1ccccc1)n1ccc(=O)[nH]c1=O

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 3/20 0.46
▸ DDB1 Q16531 1/20 0.46
▸ DUT P33316 12/20 0.42
▸ GAA P10253 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ MET P08581 2/20 0.36

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
SCHEMBL3993881 0.86 CRBN (0.45) CRBNDDB1DUTGAAPOLB
SCHEMBL17243686 0.80 GAA (0.54) CRBNDDB1DUTGAAPOLB
SCHEMBL5796877 0.77 CRBN (0.49) CRBNDDB1DUTGAAPOLB
SCHEMBL5797006 0.72 CRBN (0.44) CRBNDDB1DUTGAAPOLB
SCHEMBL399971 0.70 DUT (0.47) CRBNDDB1DUTPOLBHSD17B10
SCHEMBL6040129 0.69 NR3C2 (0.48) CRBNDDB1DUTPOLBHSD17B10
SCHEMBL2719765 0.67 CRBN (0.54) CRBNDDB1DUTPOLBHSD17B10
SCHEMBL10642564 0.67 CRBN (0.48) CRBNDDB1DUTPOLBHSD17B10
SCHEMBL2787886 0.66 CRBN (0.43) CRBNDDB1DUTPOLBHSD17B10
SCHEMBL725455 0.66 CRBN (0.43) CRBNDDB1DUTPOLBHSD17B10

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
WO-2006070292-A2 PYRIMIDINE COMPOUNDS AS ANTI-ICTOGENIC AND/OR ANTI-EPILEPTOGENIC AGENTS QUEEN'S UNIVERSITY AT KINGSTON (US) 2006-07-06 — — WO disclosed
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