SCHEMBL7762897

SCHEMBL7762897

CC(C)(C#N)c1cc([N+](=O)[O-])ccc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
TDP1 Q9NUW8 3/20 0.41
CYP3A4 P08684 2/20 0.41
VCAM1 P19320 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
HTT P42858 2/20 0.40
MEN1 O00255 1/20 0.40
GALR3 O60755 1/20 0.40
KMT2A Q03164 1/20 0.40
TSHR P16473 4/20 0.40
PTPRC P08575 3/20 0.39
S100A4 P26447 2/20 0.39
LMNA P02545 2/20 0.36
HSD17B10 Q99714 2/20 0.36
GRIA1 P42261 1/20 0.36
GRIA2 P42262 1/20 0.36
GRIA3 P42263 1/20 0.36
GRIA4 P48058 1/20 0.36
ACHE P22303 3/20 0.35

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
SCHEMBL2814724 0.88 ALDH1A1 (0.41) ALDH1A1TDP1CYP3A4VCAM1SMN1; SMN2
SCHEMBL22165266 0.83 ALDH1A1 (0.53) ALDH1A1TDP1CYP3A4VCAM1SMN1; SMN2
SCHEMBL25784184 0.82 SMN1; SMN2 (0.55) ALDH1A1TDP1CYP3A4SMN1; SMN2L3MBTL1
SCHEMBL2816057 0.81 VCAM1 (0.55) ALDH1A1TDP1VCAM1SMN1; SMN2L3MBTL1
SCHEMBL2814868 0.80 PDE7A (0.44) ALDH1A1TDP1VCAM1SMN1; SMN2L3MBTL1
SCHEMBL2815590 0.79 ALDH1A1 (0.53) ALDH1A1TDP1CYP3A4VCAM1SMN1; SMN2
SCHEMBL25784185 0.79 SMN1; SMN2 (0.47) ALDH1A1TDP1CYP3A4SMN1; SMN2L3MBTL1
SCHEMBL7762887 0.79 TDP1 (0.49) ALDH1A1TDP1CYP3A4SMN1; SMN2L3MBTL1
SCHEMBL2816811 0.78 ALDH1A1 (0.45) ALDH1A1TDP1CYP3A4VCAM1SMN1; SMN2
SCHEMBL2815627 0.78 HSD17B10 (0.51) ALDH1A1TDP1VCAM1SMN1; SMN2L3MBTL1

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