SCHEMBL17726

SCHEMBL17726

N#Cc1cc(C(F)(F)F)ncn1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.50
CHKA P35790 1/20 0.50
KMO O15229 1/20 0.39
CTSS P25774 1/20 0.33
LOXL2 Q9Y4K0 2/20 0.32
SCN9A Q15858 1/20 0.32
LOX P28300 1/20 0.32
TAS2R14 Q9NYV8 1/20 0.32
KDR P35968 1/20 0.31
OGA O60502 1/20 0.31
TGFBR1 P36897 1/20 0.30
MYC P01106 1/20 0.30

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
SCHEMBL601122 0.84 KMO (0.37) CA2CHKAKMO
SCHEMBL17816266 0.79 KMO (0.39) KMOMYC
SCHEMBL27264896 0.77 CA2 (0.68) CA2CHKALOXL2LOX
SCHEMBL3669699 0.77 KMO (0.48) KMOMYC
SCHEMBL31229419 0.76 KMO (0.37) KMOMYC
SCHEMBL16894281 0.73 KMO (0.52) KMO
SCHEMBL29411236 0.73 KMO (0.52) KMO
SCHEMBL30117144 0.72 KDR (0.36) KMOCTSSKDR
SCHEMBL601280 0.72 KDR (0.36) KMOCTSSKDR
SCHEMBL31621972 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024126619-A1 ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING A COMPOUND OF FORMULA (I) AND A COMPOUND OF FORMULA (II), AND DISPLAY DEVICE COMPRISING THE ORGANIC ELECTROLUMINESCENT DEVICE NOVALED GMBH (DE) 2024-06-20 WO disclosed
WO-2024046607-A1 ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING A COMPOUND OF FORMULA (I) AND A COMPOUND OF FORMULA (II), AND DISPLAY DEVICE COMPRISING THE ORGANIC ELECTROLUMINESCENT DEVICE NOVALED GMBH (DE) 2024-03-07 WO disclosed
WO-2023232967-A1 ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING A COMPOUND OF FORMULA (I) AND A COMPOUND OF FORMULA (II), AND DISPLAY DEVICE COMPRISING THE ORGANIC ELECTROLUMINESCENT DEVICE NOVALED GMBH (DE) 2023-12-07 WO disclosed
WO-2023232972-A1 ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING A COMPOUND OF FORMULA (I) AND A COMPOUND OF FORMULA (II), AND DISPLAY DEVICE COMPRISING THE ORGANIC ELECTROLUMINESCENT DEVICE NOVALED GMBH (DE) 2023-12-07 WO disclosed
WO-2023232959-A1 ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING A COMPOUND OF FORMULA (I) AND A COMPOUND OF FORMULA (II), AND DISPLAY DEVICE COMPRISING THE ORGANIC ELECTROLUMINESCENT DEVICE NOVALED GMBH (DE) 2023-12-07 WO disclosed
EP-4106028-A1 ORGANIC ELECTRONIC DEVICE COMPRISING A COMPOUND OF FORMULA (I), DISPLAY DEVICE COMPRISING THE ORGANIC ELECTRONIC DEVICE AS WELL AS COMPOUNDS OF FORMULA (I) Novaled GmbH (DE) 2022-12-21 EP disclosed
WO-2012025460-A1 OXADIAZOLINONE DERIVATIVES AND USE THEREOF IN PEST CONTROL BAYER CROPSCIENCE AG (DE) 2012-03-01 WO disclosed