SCHEMBL31556677

SCHEMBL31556677

CC(C)(C)OC(=O)N1Cc2ccc(CN3C(=C=S)NC(=O)c4[nH]ccc43)cc2C1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 5/20 0.41
▸ DDB1 Q16531 4/20 0.41
▸ HDAC1 Q13547 2/20 0.38
▸ ESR2 Q92731 1/20 0.37
▸ NR1H2 P55055 2/20 0.36
▸ MAPK1 P28482 1/20 0.34
▸ ROCK1 Q13464 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.33
▸ NAMPT P43490 2/20 0.32
▸ ROCK2 O75116 1/20 0.32
▸ JAK2 O60674 3/20 0.31
▸ JAK1 P23458 3/20 0.31
▸ PIK3CA P42336 1/20 0.31
▸ MTOR P42345 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
SCHEMBL31556686 0.83 CRBN (0.45) CRBNDDB1NR1H2MAPK1NAMPT
SCHEMBL31556648 0.75 MAPT (0.40) NAMPTJAK2JAK1
SCHEMBL31556625 0.73 MEN1 (0.37) CRBNDDB1NR1H2MAPK1NAMPT
SCHEMBL31556694 0.73 JAK2 (0.41) JAK2JAK1
SCHEMBL30749377 0.71 MPO (0.44) HDAC1
SCHEMBL31556718 0.71 TSHR (0.36) NR1H2
SCHEMBL30368276 0.70 HSP90AA1 (0.55) CRBNDDB1HDAC1ESR2NR1H2
SCHEMBL1206797 0.70 HSP90AA1 (0.55) CRBNDDB1HDAC1ESR2NR1H2
SCHEMBL31556669 0.70 TSHR (0.36) —
SCHEMBL29974005 0.69 ESR2 (0.54) CRBNDDB1HDAC1ESR2NR1H2

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-119894896-A Inhibitors of green peroxidase 阿斯利康(瑞典)有限公司 2025-04-25 — — CN disclosed
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