SCHEMBL6236941

SCHEMBL6236941

O=[N+]([O-])c1ccc(-c2cccc(OC(F)(F)F)c2)nc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.45
DYRK1A Q13627 9/20 0.45
KCNH2 Q12809 1/20 0.42
SCN10A Q9Y5Y9 1/20 0.42
MAPT P10636 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
FYN P06241 1/20 0.41
GAA P10253 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TP53 P04637 1/20 0.41
CASP3 P42574 1/20 0.41
HTT P42858 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
NPY5R Q15761 1/20 0.41
HSP90AA1 P07900 1/20 0.41
CXCR5 P32302 1/20 0.41
APLNR P35414 1/20 0.41
CCR6 P51684 1/20 0.41
ATR Q13535 1/20 0.41

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
SCHEMBL1337055 0.83 MAPT (0.55) DYRK1AMAPTGAAMEN1KMT2A
SCHEMBL14988514 0.80 SCN2A (0.59) MAPTNPSR1MEN1KMT2AHSP90AA1
SCHEMBL30794335 0.80 MAPT (0.60) MAPTNPSR1GAAMEN1KMT2A
SCHEMBL29180298 0.80 MAPT (0.60) MAPTNPSR1GAAMEN1KMT2A
SCHEMBL2402918 0.79 DHODH (0.48) XDHDYRK1AKCNH2SCN10AMAPT
SCHEMBL6231939 0.79 RAB9A (0.60) MAPTCASP3SENP7NPC1RAB9A
SCHEMBL1723569 0.78 MAPT (0.57) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL3409448 0.78 DYRK1A (0.50) XDHDYRK1AKCNH2SCN10AFYN
SCHEMBL8350438 0.77 DYRK1A (0.52) XDHDYRK1AKCNH2SCN10AFYN
SCHEMBL14988369 0.76 NPC1 (0.50) MAPTMEN1KMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005005382-A2 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2005-01-20 WO disclosed