SCHEMBL6579452

SCHEMBL6579452

O=C(NCC(F)(F)C(F)(F)C(F)(F)F)c1ccnc2c1ccc1c(C(=O)NCC(F)(F)C(F)(F)C(F)(F)F)ccnc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.40
PSMD14 O00487 4/20 0.39
LOXL2 Q9Y4K0 1/20 0.36
L3MBTL1 Q9Y468 4/20 0.36
AURKA O14965 1/20 0.35
LCK P06239 1/20 0.35
MET P08581 1/20 0.35
KDR P35968 1/20 0.35
TEK Q02763 1/20 0.35
AURKB Q96GD4 1/20 0.35
PREP P48147 2/20 0.34
KDM4E B2RXH2 3/20 0.33
RAB9A P51151 2/20 0.33
KDM4A O75164 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
HIF1AN Q9NWT6 1/20 0.33
SLC40A1 Q9NP59 3/20 0.33
HDAC6 Q9UBN7 1/20 0.33
SORT1 Q99523 1/20 0.32
NPC1 O15118 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
SCHEMBL6577234 0.74 LOXL2 (0.53) CA2LOXL2KDR
SCHEMBL6577433 0.72 HTR1A (0.41) AURKAAURKBKDM4E
SCHEMBL2241498 0.71 CYP1A2 (0.44) CA2KDM4ERAB9ASORT1NPC1
SCHEMBL823222 0.71 CYP1A2 (0.44) CA2KDM4ERAB9ASORT1NPC1
SCHEMBL30131399 0.69 CA2 (0.40) CA2RAB9ANPC1
SCHEMBL12742983 0.67 GRM4 (0.41) PSMD14KDM4ESLC40A1
SCHEMBL1284802 0.66 CA2 (0.51) CA2KDM4ERAB9ASORT1NPC1
SCHEMBL7693873 0.65 LOXL2 (0.43) LOXL2L3MBTL1AURKALCKMET
SCHEMBL1088793 0.64 KDM4E (0.67) PSMD14L3MBTL1KDM4ERAB9AKDM4A
SCHEMBL6579639 0.64 KDM4E (0.33) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1199556-B1 Optical sensor for measuring an analyte and method of manufacturing the same METTLER TOLEDO GMBH (CH) 2004-05-06 EP claimed
US-6653148-B2 Optical sensor for determining an analyte, and method of manufacturing the optical sensor METTLER-TOLEDO GMBH (CH) 2003-11-25 US claimed
US-20030017078-A1 Sensor matrix that is made up substantially of a fluoropolymer containing luminescent indicator with a metal complex of ruthenium, rhenium, rhodium or iridium, and with at least one at least partially fluorinated ligand. METTLER-TOLEDO GMBH (CH) 2003-01-23 US claimed
EP-1199556-A1 Optical sensor for measuring an analyte and method of manufacturing the same Mettler-Toledo GmbH (CH) 2002-04-24 EP claimed
EP-1199556-B1 Optical sensor for measuring an analyte and method of manufacturing the same METTLER TOLEDO GMBH (CH) 2004-05-06 EP disclosed
US-6653148-B2 Optical sensor for determining an analyte, and method of manufacturing the optical sensor METTLER-TOLEDO GMBH (CH) 2003-11-25 US disclosed
US-20030017078-A1 Sensor matrix that is made up substantially of a fluoropolymer containing luminescent indicator with a metal complex of ruthenium, rhenium, rhodium or iridium, and with at least one at least partially fluorinated ligand. METTLER-TOLEDO GMBH (CH) 2003-01-23 US disclosed
EP-1199556-A1 Optical sensor for measuring an analyte and method of manufacturing the same Mettler-Toledo GmbH (CH) 2002-04-24 EP disclosed