SCHEMBL7767485

SCHEMBL7767485

N#CC(Br)c1cccc(O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.58
ESR2 Q92731 2/20 0.58
TRPA1 O75762 1/20 0.57
ADRB1 P08588 2/20 0.43
ADRA1A P35348 2/20 0.43
MIF P14174 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2B P41595 1/20 0.43
LMNA P02545 4/20 0.42
CA12 O43570 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CA2 P00918 1/20 0.42
CYP3A4 P08684 1/20 0.42
CA5A P35218 1/20 0.42
CA9 Q16790 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
HIF1A Q16665 4/20 0.41
TSHR P16473 3/20 0.41

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
SCHEMBL7262478 0.78 ESR1 (0.59) ESR1ESR2ADRB1ADRA1AMIF
SCHEMBL3496129 0.78 ESR1 (0.59) ESR1ESR2ADRB1ADRA1AMIF
SCHEMBL9256909 0.78 ESR1 (0.59) ESR1ESR2ADRB1ADRA1AMIF
SCHEMBL7305656 0.76 LMNA (0.52) ESR1ESR2ADRB1ADRA1AMIF
SCHEMBL14593279 0.76 TRPA1 (0.57) ESR1ESR2TRPA1ALDH1A1TSHR
SCHEMBL7554338 0.76 ESR1 (0.58) ESR1ESR2ADRB1ADRA1AMIF
SCHEMBL7768206 0.76 TRPA1 (0.57) ESR1ESR2TRPA1LMNACA12
SCHEMBL6965820 0.76 TRPA1 (0.57) TRPA1TSHR
SCHEMBL10958756 0.76 TRPA1 (0.57) TRPA1LMNAALDH1A1CYP3A4HSD17B10
SCHEMBL28241554 0.76 TRPA1 (0.57) TRPA1LMNAALDH1A1CYP19A1

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