SCHEMBL30232255

SCHEMBL30232255

CN1C(=O)C(=O)c2cc([N+](=O)[O-])ccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 6/20 1.00
CASP1 P29466 2/20 1.00
CASP4 P49662 2/20 1.00
CASP7 P55210 2/20 1.00
CASP9 P55211 2/20 1.00
CASP6 P55212 2/20 1.00
NR1H2 P55055 1/20 0.65
NR1H3 Q13133 1/20 0.65
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CASP8 Q14790 1/20 0.56
PTPRC P08575 3/20 0.53
S100A4 P26447 2/20 0.53
LMNA P02545 1/20 0.50
TTR P02766 2/20 0.49
CES1 P23141 2/20 0.49
GABRA1 P14867 2/20 0.48
GABRG2 P18507 2/20 0.48
GABRB3 P28472 2/20 0.48
GABRA5 P31644 2/20 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
SCHEMBL3594484 1.00 CASP3 (1.00) CASP3CASP1CASP4CASP7CASP9
SCHEMBL26621563 0.87 CASP3 (0.77) CASP3CASP1CASP4CASP7CASP9
SCHEMBL31419431 0.84 CASP3 (0.72) CASP3CASP1CASP4CASP7CASP9
Isatin SCHEMBL2543770 0.83 CASP3 (0.70) CASP3CASP1CASP4CASP7CASP9
SCHEMBL7094984 0.81 CA1 (0.70) CASP3CASP1CASP4CASP7CASP9
SCHEMBL28585158 0.80 CASP1 (0.67) CASP3CASP1CASP4CASP7CASP9
SCHEMBL3651922 0.80 CASP3 (0.67) CASP3CASP1CASP4CASP7CASP9
SCHEMBL28031452 0.80 CASP3 (0.67) CASP3CASP1CASP4CASP7CASP9
SCHEMBL23250129 0.80 CASP3 (0.66) CASP3CASP1CASP4CASP7CASP9
SCHEMBL21774731 0.80 CASP1 (0.67) CASP3CASP1CASP4CASP7CASP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119019369-A Bifunctional molecules comprising an E3 ubiquitin ligase binding moiety linked to a BCL6 targeting moiety 阿尔维纳斯运营股份有限公司 2024-11-26 CN disclosed
CN-115397821-B Bifunctional molecules comprising an E3 ubiquitin ligase binding moiety linked to a BCL6 targeting moiety 阿尔维纳斯运营股份有限公司 2024-09-03 CN disclosed
EP-4380919-A1 CYANOPYRIDINE AND CYANOPYRIMIDINE BCL6 DEGRADERS Dana-Farber Cancer Institute, Inc. (US) 2024-06-12 EP disclosed
CN-117980290-A Cyanopyridine and cyanopyrimidine BCL6 degrading agents 达纳-法伯癌症研究所公司 2024-05-03 CN disclosed
WO-2023015164-A1 CYANOPYRIDINE AND CYANOPYRIMIDINE BCL6 DEGRADERS DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-02-09 WO disclosed