SCHEMBL21986280

SCHEMBL21986280

C=C(C)CCC(C)N1Cc2c(N)cccc2C1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.38
TNF P01375 1/20 0.38
IL1B P01584 1/20 0.38
IKZF1 Q13422 1/20 0.38
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
IKZF3 Q9UKT9 1/20 0.38
ALDH1A1 P00352 1/20 0.35
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
TLR9 Q9NR96 1/20 0.33
HTR2A P28223 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
PABPC1 P11940 1/20 0.31
PTPRC P08575 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALOX15 P16050 1/20 0.31
MAP3K5 Q99683 3/20 0.31
UGCG Q16739 1/20 0.31

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
SCHEMBL18747986 0.85 ALOX15 (0.36) BRD4TNFIL1BIKZF1DDB1
SCHEMBL18666649 0.83 BRD4 (0.35) BRD4TNFIL1BIKZF1DDB1
SCHEMBL9934296 0.82 BRD4 (0.40) BRD4TNFIL1BIKZF1DDB1
SCHEMBL24675784 0.81 BRD4 (0.35) BRD4TNFIL1BIKZF1DDB1
SCHEMBL9935368 0.77 UGCG (0.39) BRD4TNFIL1BIKZF1DDB1
SCHEMBL9934235 0.77 UGCG (0.39) BRD4TNFIL1BIKZF1DDB1
SCHEMBL7952458 0.77 IDH1 (0.46) BRD4TNFIL1BIKZF1DDB1
SCHEMBL20870730 0.76
SCHEMBL7911235 0.76 KDM4E (0.38) BRD4TNFIL1BIKZF1DDB1
SCHEMBL15247750 0.75 KDM4E (0.44) BRD4TNFIL1BIKZF1DDB1

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-3135275-B1 PHARMACEUTICAL COMPOSITION CAPABLE OF THE INCORPORATION OF LENALIDOMIDE IN VARIOUS CRYSTALLINE MODIFICATIONS GRINDEKS JSC (LV) 2020-05-13 EP disclosed