SCHEMBL19370772

SCHEMBL19370772

CC(C)(C)OC(=O)Nc1cccc2c1CN([C@@H]1CCC(=O)NC1=O)C2=O

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 13/20 0.61
▸ BRD4 O60885 3/20 0.57
▸ DDB1 Q16531 2/20 0.57
▸ TNF P01375 1/20 0.57
▸ IL1B P01584 1/20 0.57
▸ IKZF1 Q13422 1/20 0.57
▸ IKZF3 Q9UKT9 1/20 0.57
▸ MAP1LC3B Q9GZQ8 6/20 0.56
▸ HDAC3 O15379 1/20 0.52
▸ HDAC1 Q13547 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
SCHEMBL19370687 1.00 CRBN (0.61) CRBNBRD4DDB1TNFIL1B
SCHEMBL30937059 0.91 CRBN (0.61) CRBNBRD4DDB1TNFIL1B
SCHEMBL21792617 0.90 CRBN (0.59) CRBNBRD4DDB1MAP1LC3B
SCHEMBL31316521 0.90 CRBN (0.65) CRBNBRD4DDB1TNFIL1B
SCHEMBL16582168 0.90 MAP1LC3B (0.59) CRBNBRD4DDB1TNFIL1B
SCHEMBL25031752 0.90 CRBN (0.53) CRBNBRD4DDB1TNFIL1B
SCHEMBL13643751 0.89 CRBN (0.59) CRBNBRD4DDB1MAP1LC3B
SCHEMBL30772535 0.87 CRBN (0.55) CRBNBRD4DDB1TNFIL1B
SCHEMBL23729386 0.87 CRBN (0.72) CRBNBRD4DDB1TNFIL1B
SCHEMBL22580836 0.87 CRBN (0.58) CRBNBRD4DDB1MAP1LC3B

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-2017161119-A1 SMALL MOLECULES AGAINST CEREBLON TO ENHANCE EFFECTOR T CELL FUNCTION H. LEE MOFFITT CANCER CENTER & RESEARCH INSTITUTE, INC. (US) 2017-09-21 — — WO disclosed
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