SCHEMBL6851695

SCHEMBL6851695

O=C(CCO)ONC(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.54
CTDSP1 Q9GZU7 3/20 0.54
NPC1 O15118 2/20 0.54
POLB P06746 5/20 0.49
KMT2A Q03164 4/20 0.49
ALDH1A1 P00352 3/20 0.49
MAPT P10636 3/20 0.49
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
NCOR2 Q9Y618 1/20 0.46
PTPN1 P18031 1/20 0.45
SMYD3 Q9H7B4 1/20 0.45
EPHX2 P34913 1/20 0.44
NR1H4 Q96RI1 1/20 0.44
MEN1 O00255 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HPGDS O60760 1/20 0.44
FFAR1 O14842 1/20 0.44

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
SCHEMBL14714515 0.84 RAB9A (0.53) RAB9ACTDSP1NPC1POLBKMT2A
SCHEMBL9574878 0.81 POLB (0.61) RAB9ANPC1POLBALDH1A1HDAC3
SCHEMBL27556286 0.81 ALDH1A1 (0.66) RAB9ACTDSP1NPC1POLBKMT2A
SCHEMBL6852083 0.77 NPC1 (0.56) RAB9ACTDSP1NPC1POLBKMT2A
SCHEMBL10671587 0.76 ALDH1A1 (0.63) RAB9ACTDSP1NPC1POLBKMT2A
SCHEMBL6886046 0.76 ALDH1A1 (0.58) RAB9ANPC1POLBKMT2AALDH1A1
SCHEMBL28247276 0.76 POLB (0.58) RAB9ANPC1POLBKMT2AALDH1A1
SCHEMBL1706875 0.74 NPC1 (0.67) RAB9ACTDSP1NPC1KMT2AALDH1A1
SCHEMBL27367994 0.73 ALDH1A1 (0.54) RAB9ANPC1POLBKMT2AALDH1A1
SCHEMBL8459980 0.73 ALDH1A1 (0.54) RAB9ANPC1POLBKMT2AALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1389211-A1 3,7-DIAZYBICYCLO 3.3.1] FORMULATIONS AS ANTIARRHYTMIC COMPOUNDS AstraZeneca AB (SE) 2004-02-18 EP disclosed
EP-1389213-A1 3,7-DIAZABICYCLO 3.3.1] FORMULATIONS AS ANTIARHYTHMIC COMPOUNDS AstraZeneca AB (SE) 2004-02-18 EP disclosed
WO-2002083687-A1 3,7-DIAZYBICYCLO [3.3.1] FORMULATIONS AS ANTIARRHYTMIC COMPOUNDS ASTRAZENECA AB (SE) 2002-10-24 WO disclosed
WO-2002083688-A1 3,7-DIAZABICYCLO [3.3.1] FORMULATIONS AS ANTIARHYTHMIC COMPOUNDS ASTRAZENECA AB (SE) 2002-10-24 WO disclosed