SCHEMBL7735993

SCHEMBL7735993

CC(C)(C(N)=O)c1cccc([N+](=O)[O-])c1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.46
TDP1 Q9NUW8 3/20 0.41
GPR35 Q9HC97 2/20 0.41
TSHR P16473 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
PLAU P00749 1/20 0.37
F2 P00734 2/20 0.37
PRSS1 P07477 2/20 0.37
PRSS2 P07478 2/20 0.37
PRSS3 P35030 2/20 0.37
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
SLC9A1 P19634 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
SCHEMBL29931026 0.84 NPSR1 (0.58) NPSR1TDP1GPR35MAPTKMT2A
SCHEMBL1695081 0.84 NPSR1 (0.58) NPSR1TDP1GPR35MAPTKMT2A
SCHEMBL7732543 0.81 TDP1 (0.46) NPSR1TDP1GPR35TSHRL3MBTL1
SCHEMBL3126302 0.76 GPR35 (0.65) TDP1GPR35TSHRL3MBTL1MAPT
SCHEMBL7762883 0.74 KCNN4 (0.44) MAPTKMT2ANPC1RAB9A
Trifluoroacetic Acid SCHEMBL7732635 0.74 NPSR1 (0.39) NPSR1TDP1GPR35TSHRL3MBTL1
Selenium SCHEMBL11463644 0.74 GPR35 (0.62) TDP1GPR35TSHRL3MBTL1MAPT
SCHEMBL7731241 0.74 TDP1 (0.42) NPSR1TDP1GPR35TSHRL3MBTL1
SCHEMBL7775267 0.74 ALDH1A1 (0.46) NPSR1TDP1GPR35TSHRMAPT
SCHEMBL7731390 0.73 NPSR1 (0.44) NPSR1TDP1GPR35TSHRL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6407083-B1 ADMINISTERING AS 7-NITROBENZISOSELENAZOLINE DERIVATIVES AS ANTITUMOR AND ANTICARCINOGENIC AGENTS OXIS INTERNATIONAL, INC. 2002-06-18 US disclosed
EP-0701554-B1 NOVEL COMPOUNDS HAVING A BENZISOSELEN-AZOLINE AND -AZINE STRUCTURE, METHOD FOR PREPARING SAME AND THERAPEUTIC USES THEREOF OXIS ISLE OF MAN LTD (GB) 2001-06-27 EP disclosed
US-6130212-A ANTITUMOR OXIS INTERNATIONAL S.A. (US) 2000-10-10 US disclosed
US-6093532-A USING ADAPTED STORAGE MEDIUM WHICH SUPPLIES SELENIUM FOR GLUTATHIONE PEROXIDASE, A CRYOPROTECTIVE AND ANTIOXIDANT ENZYME OXIS ISLE OF MAN, LIMITED (US) 2000-07-25 US disclosed
US-6057310-A TREATING LEUKEMIA, BREAST CANCER OXIS ISLE OF MAN, LIMITED (US) 2000-05-02 US disclosed
US-6001825-A Use of novel organoselenium compounds as pro-oxidizing agents their methods of preparation and pharmaceutical compositions and application thereof OXIS ISLE OF MAN, LIMITED (US) 1999-12-14 US disclosed
US-5968920-A INCREASE GLUTATHIONE PEROXIDASE ACTIVITY FOR REDUCING LEVELS OF PEROXIDES IN CELLS OR TISSUES OXIS ISLE OF MAN, LIMITED (US) 1999-10-19 US disclosed
EP-0819682-A1 Use of novel organoselenium compounds as pro-oxidizing agents, their methods of preparation and pharmaceutical compositions and application containing them Oxis International S.A. (FR) 1998-01-21 EP disclosed
EP-0701554-A1 NOVEL COMPOUNDS HAVING A BENZISOSELEN-AZOLINE AND -AZINE STRUCTURE, METHOD FOR PREPARING SAME AND THERAPEUTIC USES THEREOF OXIS INTERNATIONAL S.A. (FR) 1996-03-20 EP disclosed
WO-1995027706-A1 NOVEL COMPOUNDS HAVING A BENZISOSELEN-AZOLINE AND -AZINE STRUCTURE, METHOD FOR PREPARING SAME AND THERAPEUTIC USES THEREOF OXIS INTERNATIONAL S.A. (FR) 1995-10-19 WO disclosed