SCHEMBL7762883

SCHEMBL7762883

CC(C)(C(N)=O)c1cccc(F)c1Br

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 8/20 0.44
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
KCNE1 P15382 1/20 0.40
KCNQ1 P51787 1/20 0.40
CES2 O00748 2/20 0.35
CES1 P23141 2/20 0.35
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
DGAT1 O75907 1/20 0.33
TTR P02766 1/20 0.33
BCHE P06276 1/20 0.32
PTGER3 P43115 1/20 0.32
NPC1 O15118 1/20 0.32
PKM P14618 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL3860550 0.82 KCNN4 (0.46) KCNN4MAPTKMT2AKCNE1KCNQ1
SCHEMBL31691802 0.82 KCNN4 (0.58) KCNN4MAPTKMT2AKCNE1KCNQ1
SCHEMBL3861565 0.82 KCNN4 (0.58) KCNN4MAPTKMT2AKCNE1KCNQ1
SCHEMBL3861716 0.76 MAPT (0.50) KCNN4MAPTKMT2AKCNE1KCNQ1
SCHEMBL24270237 0.76 CA2 (0.37) KCNN4CES2CES1HDAC3HDAC1
SCHEMBL7768199 0.76 CA2 (0.32) KCNN4
SCHEMBL7735993 0.74 NPSR1 (0.46) MAPTKMT2ANPC1RAB9A
SCHEMBL7768184 0.74 KMT2A (0.53) KCNN4MAPTKMT2AKCNE1KCNQ1
SCHEMBL10873924 0.71 CES2 (0.32) KCNN4CES2CES1
SCHEMBL22655998 0.71 MAPT (0.53) KCNN4MAPTKMT2A

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