Sepantronium

Sepantronium

SCHEMBL29493286

COCCn1c2c([n+](Cc3cnccn3)c1C)C(=O)c1ccccc1C2=O.[Br-]

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1

The experimentally established mechanism targets of Sepantronium. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BIRC5 O15392 1/20 1.00
RIPK2 O43353 1/20 1.00
SP1 P08047 1/20 1.00
ILF3 Q12906 1/20 1.00
PAK1 Q13153 1/20 1.00
CDK4 P11802 1/20 0.34
CCND1 P24385 1/20 0.34
CCND2 P30279 1/20 0.34
CCND3 P30281 1/20 0.34
NOX4 Q9NPH5 1/20 0.33
CYP1A2 P05177 5/20 0.33
CYP3A4 P08684 3/20 0.33
CLK4 Q9HAZ1 2/20 0.33
ADORA2B P29275 1/20 0.33
TSHR P16473 1/20 0.33
ALDH1A1 P00352 4/20 0.32
HSD17B10 Q99714 2/20 0.32
POLB P06746 1/20 0.32
PKM P14618 1/20 0.32
MAPK1 P28482 2/20 0.32

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
Sepantronium SCHEMBL727997 1.00 BIRC5 (1.00) BIRC5RIPK2SP1ILF3PAK1
Sepantronium SCHEMBL2814447 0.99 BIRC5 (0.98) BIRC5RIPK2SP1ILF3PAK1
Sepantronium SCHEMBL2814857 0.99 BIRC5 (0.98) BIRC5RIPK2SP1ILF3PAK1
Bromide SCHEMBL15062823 0.89 BIRC5 (0.79) BIRC5RIPK2SP1ILF3PAK1
SCHEMBL6190071 0.86 BIRC5 (0.74) BIRC5RIPK2SP1ILF3PAK1
Sepantronium SCHEMBL16584072 0.84 BIRC5 (0.73) BIRC5RIPK2SP1ILF3PAK1
Sepantronium SCHEMBL29379252 0.84 BIRC5 (0.73) BIRC5RIPK2SP1ILF3PAK1
SCHEMBL6190207 0.84 BIRC5 (0.72) BIRC5RIPK2SP1ILF3PAK1
Sepantronium SCHEMBL29464041 0.83 BIRC5 (0.71) BIRC5RIPK2SP1ILF3PAK1
Sepantronium SCHEMBL6188375 0.83 BIRC5 (0.71) BIRC5RIPK2SP1ILF3PAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118178417-A Antiproliferative compounds and second active agents for the treatment of multiple myeloma 细胞基因公司 2024-06-14 CN disclosed
EP-4171550-A1 METHODS FOR TREATING CANCER WITH COMBINATION THERAPIES Celgene Corporation (US) 2023-05-03 EP disclosed
EP-4048260-A1 SUBSTITUTED 4-AMINOISOINDOLINE-1,3-DIONE COMPOUNDS AND SECOND ACTIVE AGENTS FOR COMBINED USE Celgene Corporation (US) 2022-08-31 EP disclosed
CN-114404596-A Antiproliferative compounds and second agents for the treatment of multiple myeloma 细胞基因公司 2022-04-29 CN disclosed