SCHEMBL31556686

SCHEMBL31556686

CC(C)(C)OC(=O)N1Cc2cccc(CN3C(=C=S)NC(=O)c4[nH]ccc43)c2C1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 4/20 0.45
▸ DDB1 Q16531 3/20 0.45
▸ MAPK1 P28482 1/20 0.37
▸ GLS O94925 2/20 0.35
▸ C5AR1 P21730 2/20 0.33
▸ NAMPT P43490 2/20 0.33
▸ BRD4 O60885 1/20 0.32
▸ CREBBP Q92793 1/20 0.32
▸ UCHL1 P09936 1/20 0.32
▸ CACNA1G O43497 1/20 0.32
▸ CACNA1H O95180 1/20 0.32
▸ CACNA1I Q9P0X4 1/20 0.32
▸ LIPG Q9Y5X9 1/20 0.31
▸ NR1H2 P55055 1/20 0.31
▸ PARP1 P09874 1/20 0.31
▸ TNKS2 Q9H2K2 1/20 0.31
▸ PARP2 Q9UGN5 1/20 0.31
▸ JAK2 O60674 1/20 0.30
▸ JAK1 P23458 1/20 0.30

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
SCHEMBL31556677 0.83 CRBN (0.41) CRBNDDB1MAPK1NAMPTNR1H2
SCHEMBL31556648 0.80 MAPT (0.40) NAMPTJAK2JAK1
SCHEMBL31556694 0.78 JAK2 (0.41) BRD4JAK2JAK1
SCHEMBL31556718 0.76 TSHR (0.36) UCHL1NR1H2
SCHEMBL31556669 0.76 TSHR (0.36) UCHL1
SCHEMBL31556625 0.75 MEN1 (0.37) CRBNDDB1MAPK1NAMPTNR1H2
SCHEMBL31556631 0.74 TSHR (0.32) NR1H2JAK1
SCHEMBL31556639 0.74 TSHR (0.32) NR1H2JAK1
SCHEMBL31556650 0.74 TSHR (0.34) CRBNDDB1UCHL1JAK1
SCHEMBL30749276 0.72 MPO (0.52) CRBNDDB1

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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