SCHEMBL26977016

SCHEMBL26977016

O=[N+]([O-])c1cc([N+](=O)[O-])c(CBr)cc1CBr

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SNCA P37840 2/20 0.47
ALOX15 P16050 2/20 0.44
ALOX12 P18054 1/20 0.44
CYP1A2 P05177 2/20 0.39
ALDH1A1 P00352 4/20 0.39
TDP1 Q9NUW8 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
POLB P06746 2/20 0.39
MAPT P10636 2/20 0.39
CYP3A4 P08684 2/20 0.39
MCL1 Q07820 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TSHR P16473 2/20 0.38
GPR35 Q9HC97 1/20 0.38
KDM4E B2RXH2 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL8460305 0.93 SNCA (0.48) SNCAALOX15ALOX12CYP1A2ALDH1A1
SCHEMBL16330106 0.83 CYP1A2 (0.48) SNCAALOX15ALOX12CYP1A2ALDH1A1
SCHEMBL3776675 0.83 TSHR (0.42) SNCAALOX15ALOX12ALDH1A1TDP1
SCHEMBL30216843 0.83 TSHR (0.42) SNCAALOX15ALOX12ALDH1A1TDP1
SCHEMBL14713516 0.79 TDP1 (0.52) SNCAALOX15ALOX12CYP1A2ALDH1A1
SCHEMBL29510934 0.78 ALDH1A1 (0.56) ALOX15CYP1A2ALDH1A1TDP1MEN1
SCHEMBL20247288 0.78 ATM (0.43) SNCAALOX15ALOX12CYP1A2ALDH1A1
SCHEMBL40798 0.78 ALDH1A1 (0.56) ALOX15CYP1A2ALDH1A1TDP1MEN1
SCHEMBL1199050 0.77 S100A4 (0.46) SNCAALOX15ALOX12CYP1A2ALDH1A1
SCHEMBL136817 0.77 CYP1A2 (0.62) CYP1A2ALDH1A1TDP1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240122868-A1 AN ARTIFICIAL TRAP-CAGE, ITS USE AND METHOD OF PREPARING THEREOF UNIWERSYTET JAGIELLONSKI (PL) 2024-04-18 US claimed
EP-4298116-A1 AN ARTIFICIAL TRAP-CAGE, ITS USE AND METHOD OF PREPARING THEREOF UNIWERSYTET JAGIELLONSKI (PL) 2024-01-03 EP claimed
CN-117203225-A Artificial TRAP cage, use thereof and preparation method thereof 雅盖隆大学 2023-12-08 CN claimed
WO-2022182261-A1 AN ARTIFICIAL TRAP-CAGE, ITS USE AND METHOD OF PREPARING THEREOF Uniwersytet Jagielloński (PL) 2022-09-01 WO claimed
US-20240181077-A1 AN ARTIFICIAL PROTEIN-CAGE COMPRISING ENCAPSULATED THEREIN A GUEST CARGO UNIWERSYTET JAGIELLONSKI (PL) 2024-06-06 US disclosed
US-20240139339-A1 AN ARTIFICIAL PROTEIN-CAGE DECORATED WITH PARTICULAR MOLECULES ON THE EXTERIOR UNIWERSYTET JAGIELLONSKI (PL) 2024-05-02 US disclosed
US-20240122868-A1 AN ARTIFICIAL TRAP-CAGE, ITS USE AND METHOD OF PREPARING THEREOF UNIWERSYTET JAGIELLONSKI (PL) 2024-04-18 US disclosed
EP-4298117-A1 AN ARTIFICIAL PROTEIN-CAGE COMPRISING ENCAPSULATED THEREIN A GUEST CARGO UNIWERSYTET JAGIELLONSKI (PL) 2024-01-03 EP disclosed
EP-4298115-A1 AN ARTIFICIAL PROTEIN-CAGE DECORATED WITH PARTICULAR MOLECULES ON THE EXTERIOR UNIWERSYTET JAGIELLONSKI (PL) 2024-01-03 EP disclosed
EP-4298116-A1 AN ARTIFICIAL TRAP-CAGE, ITS USE AND METHOD OF PREPARING THEREOF UNIWERSYTET JAGIELLONSKI (PL) 2024-01-03 EP disclosed
CN-117203225-A Artificial TRAP cage, use thereof and preparation method thereof 雅盖隆大学 2023-12-08 CN disclosed
CN-117203224-A Artificial protein cage comprising guest cargo encapsulated therein 雅盖隆大学 2023-12-08 CN disclosed
CN-117157311-A Artificial protein cage externally decorated with specific molecules 雅盖隆大学 2023-12-01 CN disclosed
WO-2022182260-A1 AN ARTIFICIAL PROTEIN-CAGE DECORATED WITH PARTICULAR MOLECULES ON THE EXTERIOR Uniwersytet Jagielloński (PL) 2022-09-01 WO disclosed
WO-2022182262-A1 AN ARTIFICIAL PROTEIN-CAGE COMPRISING ENCAPSULATED THEREIN A GUEST CARGO Uniwersytet Jagielloński (PL) 2022-09-01 WO disclosed
WO-2022182261-A1 AN ARTIFICIAL TRAP-CAGE, ITS USE AND METHOD OF PREPARING THEREOF Uniwersytet Jagielloński (PL) 2022-09-01 WO disclosed