SCHEMBL7768221

SCHEMBL7768221

O=[N+]([O-])c1cccc([CH]Br)c1Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.49
TDP1 Q9NUW8 2/20 0.47
GPR35 Q9HC97 2/20 0.45
MAPT P10636 4/20 0.42
ALDH1A1 P00352 4/20 0.42
LMNA P02545 1/20 0.42
HSP90AA1 P07900 1/20 0.42
ATM Q13315 1/20 0.42
TSHR P16473 4/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
CA12 O43570 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
NOS1 P29475 1/20 0.40

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
SCHEMBL6293613 0.85 ERN1 (0.62) ERN1TDP1GPR35MAPTALDH1A1
SCHEMBL2402258 0.83 ERN1 (0.47) ERN1TDP1GPR35MAPTALDH1A1
SCHEMBL16957964 0.83 ERN1 (0.51) ERN1TDP1GPR35MAPTALDH1A1
SCHEMBL2550458 0.82 MAPT (0.55) ERN1TDP1MAPTALDH1A1LMNA
SCHEMBL3126302 0.81 GPR35 (0.65) ERN1TDP1GPR35MAPTALDH1A1
SCHEMBL27963506 0.80 ERN1 (0.49) ERN1TDP1GPR35MAPTALDH1A1
SCHEMBL28827155 0.79 ERN1 (0.47) ERN1TDP1GPR35MAPTALDH1A1
Selenium SCHEMBL11463644 0.79 GPR35 (0.62) ERN1TDP1GPR35MAPTALDH1A1
SCHEMBL11350912 0.76 TDP1 (0.50) ERN1TDP1GPR35MAPTALDH1A1
SCHEMBL29431836 0.75 TDP1 (0.54) ERN1TDP1GPR35MAPTALDH1A1

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
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-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-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-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