SCHEMBL7734149

SCHEMBL7734149

N#CCc1cccc([N+](=O)[O-])c1Br

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.70
HPGD P15428 1/20 0.70
TSHR P16473 4/20 0.43
TDP1 Q9NUW8 3/20 0.41
GPR35 Q9HC97 2/20 0.40
S100A4 P26447 2/20 0.40
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
PTPRC P08575 1/20 0.37
POLB P06746 1/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
NOS1 P29475 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
SCHEMBL181041 0.82 ALDH1A1 (1.00) ALDH1A1HPGDTSHRTDP1HTT
SCHEMBL7291481 0.81 ALDH1A1 (0.72) ALDH1A1HPGDTSHRTDP1GPR35
SCHEMBL10959778 0.80 ALDH1A1 (0.70) ALDH1A1HPGDTSHRTDP1GPR35
SCHEMBL3842149 0.80 ALDH1A1 (0.70) ALDH1A1HPGDTSHRTDP1GPR35
SCHEMBL6130889 0.80 ALDH1A1 (0.70) ALDH1A1HPGDTSHRTDP1GPR35
SCHEMBL10867768 0.80 ALDH1A1 (0.70) ALDH1A1HPGDTSHRTDP1GPR35
SCHEMBL11812976 0.80 ALDH1A1 (0.70) ALDH1A1HPGDTSHRTDP1GPR35
SCHEMBL30844575 0.79 ALDH1A1 (0.48) ALDH1A1HPGDTSHRTDP1GPR35
SCHEMBL1232315 0.79 ALDH1A1 (0.48) ALDH1A1HPGDTSHRTDP1GPR35
SCHEMBL15286182 0.79 GABRA1 (0.59) ALDH1A1HPGDTSHRTDP1GPR35

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