SCHEMBL6852891

SCHEMBL6852891

COCCONc1ccc(OC)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.50
RAB9A P51151 4/20 0.50
MAPT P10636 3/20 0.50
NPC1 O15118 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
KDM4E B2RXH2 2/20 0.50
THRB P10828 1/20 0.50
MAPK1 P28482 1/20 0.50
RECQL P46063 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA12 O43570 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
SAE1 Q9UBE0 1/20 0.43
UBA2 Q9UBT2 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43

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
SCHEMBL21322050 0.84 GAA (0.50) GAARAB9AMAPTNPC1L3MBTL1
SCHEMBL9091925 0.79 MAPT (0.54) GAARAB9AMAPTNPC1L3MBTL1
SCHEMBL8619179 0.79 KCNH3 (0.43) GAAMAPTMAPK1NPSR1CA2
SCHEMBL11037489 0.77 NPC1 (0.55) GAARAB9AMAPTNPC1KDM4E
SCHEMBL11510051 0.76 KDM4E (0.49) GAARAB9AMAPTNPC1L3MBTL1
SCHEMBL6921827 0.75 MAPT (0.42) GAARAB9AMAPTNPC1L3MBTL1
SCHEMBL2545271 0.74 KCNH3 (0.40) GAARAB9AMAPTL3MBTL1MAPK1
SCHEMBL16758732 0.74 KCNH3 (0.40) GAARAB9AMAPTL3MBTL1MAPK1
SCHEMBL10584523 0.74 KCNH3 (0.40) GAARAB9AMAPTL3MBTL1MAPK1
SCHEMBL7793204 0.73 GAA (0.76) GAARAB9AMAPTNPC1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1081152-B1 Triaza-cryptand and method of determining an alkali ion HOFFMANN LA ROCHE (CH) 2004-10-06 EP disclosed
US-6211359-B1 QUANTITATIVE ANALYSIS AVL MEDICAL INSTRUMENTS (CH) 2001-04-03 US disclosed
EP-1081152-A1 Triaza-cryptand and method of determining an alkali ion AVL Medical Instruments AG (CH) 2001-03-07 EP disclosed