SCHEMBL5549995

SCHEMBL5549995

O=C(O)CCC(=O)NCc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O

nearest known ligand 0.75

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 18/20 0.75
CRBN Q96SW2 18/20 0.75
IKZF3 Q9UKT9 2/20 0.56
TNF P01375 1/20 0.56
IL1B P01584 1/20 0.56
TBXA2R P21731 1/20 0.56
IKZF1 Q13422 1/20 0.56
ALDH1A1 P00352 1/20 0.53
CHRM2 P08172 1/20 0.53
OPRM1 P35372 1/20 0.53
CYP1A2 P05177 1/20 0.53
TSHR P16473 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
STAT3 P40763 1/20 0.49

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
SCHEMBL3783534 0.94 CRBN (0.72) DDB1CRBNIKZF3TNFIL1B
SCHEMBL2384835 0.91 DDB1 (0.77) DDB1CRBNIKZF3TNFIL1B
Hydrochloric Acid SCHEMBL2383396 0.90 DDB1 (0.75) DDB1CRBNIKZF3TNFIL1B
SCHEMBL20118479 0.90 DDB1 (0.79) DDB1CRBNIKZF3TNFIL1B
SCHEMBL1424775 0.90 DDB1 (0.79) DDB1CRBNIKZF3TNFIL1B
SCHEMBL20118388 0.90 DDB1 (0.79) DDB1CRBNIKZF3TNFIL1B
SCHEMBL30009748 0.89 DDB1 (0.80) DDB1CRBNIKZF3TNFIL1B
SCHEMBL476904 0.89 DDB1 (0.80) DDB1CRBNIKZF3TNFIL1B
SCHEMBL5136914 0.89 DDB1 (0.83) DDB1CRBNIKZF3TNFIL1B
SCHEMBL2382251 0.89 DDB1 (0.75) DDB1CRBNIKZF3TNFIL1B

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-1363900-B1 ISOINDOLE-IMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF CELGENE CORP (US) 2007-01-24 EP claimed