SCHEMBL20456410

SCHEMBL20456410

CS(=O)(=O)c1nc2cccc([N+](=O)[O-])c2c(=O)n1C1CCC(=O)NC1=O

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 20/20 0.52
DDB1 Q16531 18/20 0.52
IKZF3 Q9UKT9 2/20 0.52
TNF P01375 1/20 0.52
IL1B P01584 1/20 0.52

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
SCHEMBL282871 0.86 CRBN (0.70) CRBNDDB1IKZF3TNFIL1B
SCHEMBL26764344 0.86 CRBN (0.70) CRBNDDB1IKZF3TNFIL1B
SCHEMBL29922128 0.86 CRBN (0.70) CRBNDDB1IKZF3TNFIL1B
SCHEMBL20456403 0.84 CRBN (0.74) CRBNDDB1IKZF3TNFIL1B
SCHEMBL26672081 0.84 CRBN (0.53) CRBNDDB1IKZF3TNFIL1B
SCHEMBL29442250 0.77 CRBN (0.54) CRBNDDB1IKZF3TNFIL1B
SCHEMBL15945432 0.77 CRBN (0.54) CRBNDDB1IKZF3TNFIL1B
SCHEMBL15945434 0.77 CRBN (0.54) CRBNDDB1IKZF3TNFIL1B
SCHEMBL29442254 0.77 CRBN (0.54) CRBNDDB1IKZF3TNFIL1B
SCHEMBL21751056 0.76 CRBN (0.52) CRBNDDB1IKZF3TNFIL1B

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-2018144445-A1 METHODS FOR TREATING HEMATOLOGICAL CANCER AND THE USE OF BIOMARKERS AS A PREDICTOR FOR RESPONSIVENESS TO TREATMENT COMPOUNDS CELGENE CORPORATION (US) 2018-08-09 WO disclosed