SCHEMBL6852083

SCHEMBL6852083

CC(=O)ONC(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
CTDSP1 Q9GZU7 2/20 0.56
MAPT P10636 4/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
KMT2A Q03164 2/20 0.55
POLB P06746 2/20 0.55
ALDH1A1 P00352 2/20 0.55
PTPN1 P18031 3/20 0.50
NR1H4 Q96RI1 1/20 0.50
HPGDS O60760 1/20 0.49
MEN1 O00255 1/20 0.49
PDCD1 Q15116 1/20 0.47
CD274 Q9NZQ7 1/20 0.47
DEGS1 O15121 1/20 0.47

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
SCHEMBL2310273 0.89 ALDH1A1 (0.68) NPC1RAB9AMAPTKMT2APOLB
SCHEMBL7427811 0.81 CTDSP1 (0.60) NPC1RAB9ACTDSP1MAPTSMN1; SMN2
Biphenyl SCHEMBL11126466 0.81 SMN1; SMN2 (0.47) MAPTSMN1; SMN2POLBALDH1A1
SCHEMBL29033382 0.79 ALDH1A1 (0.57) NPC1RAB9AMAPTSMN1; SMN2KMT2A
SCHEMBL14714515 0.79 RAB9A (0.53) NPC1RAB9ACTDSP1MAPTSMN1; SMN2
SCHEMBL13479797 0.78 ALDH1A1 (0.57) NPC1RAB9AMAPTSMN1; SMN2KMT2A
SCHEMBL28816809 0.78 SMN1; SMN2 (0.50) NPC1RAB9ASMN1; SMN2KMT2AALDH1A1
SCHEMBL28816806 0.78 KMT2A (0.44) NPC1RAB9AMAPTSMN1; SMN2KMT2A
SCHEMBL6851695 0.77 RAB9A (0.54) NPC1RAB9ACTDSP1MAPTSMN1; SMN2
SCHEMBL6847442 0.76 NPC1 (0.54) NPC1RAB9ASMN1; SMN2KMT2ANR1H4

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