SCHEMBL30678698

SCHEMBL30678698

NC(=O)N1CC2(CC(CCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)C2)C1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 11/20 0.58
DDB1 Q16531 9/20 0.58
HDAC1 Q13547 4/20 0.54
HDAC2 Q92769 4/20 0.54
STAT3 P40763 4/20 0.54
HDAC3 O15379 3/20 0.53
NCOR2 Q9Y618 3/20 0.53
CA2 P00918 2/20 0.52
TNF P01375 1/20 0.52
IL1B P01584 1/20 0.52
TBXA2R P21731 1/20 0.52
IKZF1 Q13422 1/20 0.52
IKZF3 Q9UKT9 1/20 0.52
MAP1LC3B Q9GZQ8 1/20 0.50

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
SCHEMBL25894864 0.88 CRBN (0.62) CRBNDDB1HDAC1HDAC2STAT3
SCHEMBL23540271 0.87 CRBN (0.69) CRBNDDB1STAT3CA2
SCHEMBL23539211 0.87 CRBN (0.65) CRBNDDB1HDAC1HDAC2STAT3
SCHEMBL25878607 0.86 CRBN (0.60) CRBNDDB1HDAC1HDAC2STAT3
SCHEMBL23672358 0.85 CRBN (0.58) CRBNDDB1HDAC1HDAC2STAT3
SCHEMBL22835222 0.84 CRBN (0.62) CRBNDDB1HDAC1HDAC2STAT3
SCHEMBL25731148 0.84 CRBN (0.56) CRBNDDB1HDAC1HDAC2STAT3
SCHEMBL25733191 0.83 CRBN (0.60) CRBNDDB1HDAC1HDAC2STAT3
SCHEMBL23540331 0.83 CRBN (0.67) CRBNDDB1HDAC1HDAC2STAT3
SCHEMBL23672426 0.82 CRBN (0.59) CRBNDDB1HDAC1HDAC2STAT3

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
CN-117157298-A Dual-function chimeric heterocyclic compound of interleukin-1 receptor related kinase 4, preparation method, medicinal composition and application thereof 石药集团中奇制药技术(石家庄)有限公司 2023-12-01 CN disclosed