SCHEMBL30376389

SCHEMBL30376389

NCCOCCOCCOCCOCCNc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 4/20 0.65
▸ CRBN Q96SW2 9/20 0.58
▸ MAP1LC3B Q9GZQ8 5/20 0.58
▸ IKZF3 Q9UKT9 3/20 0.58
▸ DDB1 Q16531 2/20 0.58
▸ IKZF1 Q13422 2/20 0.58
▸ TNF P01375 2/20 0.58
▸ BRD4 O60885 1/20 0.58
▸ IL1B P01584 1/20 0.58
▸ HDAC3 O15379 1/20 0.51
▸ HDAC1 Q13547 1/20 0.51
▸ CSNK1A1 P48729 1/20 0.48

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
SCHEMBL30438189 1.00 STAT3 (0.65) STAT3CRBNMAP1LC3BIKZF3DDB1
SCHEMBL20913625 1.00 STAT3 (0.65) STAT3CRBNMAP1LC3BIKZF3DDB1
SCHEMBL19451338 1.00 STAT3 (0.65) STAT3CRBNMAP1LC3BIKZF3DDB1
SCHEMBL19451343 1.00 STAT3 (0.65) STAT3CRBNMAP1LC3BIKZF3DDB1
SCHEMBL19451341 1.00 STAT3 (0.65) STAT3CRBNMAP1LC3BIKZF3DDB1
SCHEMBL30241717 1.00 STAT3 (0.65) STAT3CRBNMAP1LC3BIKZF3DDB1
SCHEMBL19451342 0.99 STAT3 (0.63) STAT3CRBNMAP1LC3BIKZF3DDB1
SCHEMBL30437927 0.99 STAT3 (0.63) STAT3CRBNMAP1LC3BIKZF3DDB1
SCHEMBL26815429 0.97 STAT3 (0.61) STAT3CRBNMAP1LC3BIKZF3DDB1
SCHEMBL19451359 0.95 STAT3 (0.64) STAT3CRBNMAP1LC3BIKZF3DDB1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110615779-B Process for preparing lenalidomide derivatives 上海科技大学 2023-03-24 — — CN claimed
EP-4426700-A1 HETEROBIFUNCTIONAL MOLECULES AS TEAD INHIBITORS Merck Patent GmbH (DE) 2024-09-11 — — EP disclosed
WO-2023078813-A1 HETEROBIFUNCTIONAL MOLECULES AS TEAD INHIBITORS MERCK PATENT GMBH (DE) 2023-05-11 — — WO disclosed
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