SCHEMBL1978433

SCHEMBL1978433

FC(F)(F)Oc1cccc(-c2nc[nH]n2)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.48
SCN10A Q9Y5Y9 1/20 0.48
NPY5R Q15761 1/20 0.47
GRM5 P41594 1/20 0.46
XDH P47989 1/20 0.46
DYRK1A Q13627 5/20 0.45
S1PR1 P21453 1/20 0.44
USP7 Q93009 1/20 0.43
HDAC6 Q9UBN7 2/20 0.41
HDAC1 Q13547 1/20 0.41
SLC6A7 Q99884 1/20 0.41
SCN9A Q15858 1/20 0.41
BTK Q06187 1/20 0.41
GALR1 P47211 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
KCNA5 P22460 1/20 0.39
DHODH Q02127 1/20 0.39

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
SCHEMBL5378108 0.85 USP7 (0.47) NPY5RGRM5DYRK1AUSP7HDAC6
SCHEMBL31144860 0.81 DRD1 (0.47) KCNH2DYRK1A
SCHEMBL8103598 0.80 DYRK1A (0.61) KCNH2SCN10ANPY5RGRM5XDH
SCHEMBL16112103 0.80 NOTUM (0.46) KCNH2SCN10ANPY5RSCN9A
SCHEMBL7527075 0.79 CLK4 (0.64) XDHDYRK1AADORA2AADORA1
SCHEMBL1400240 0.79 SCN9A (0.57) SCN10AGRM5SCN9A
SCHEMBL31145014 0.78 IDO1 (0.54) NPY5R
SCHEMBL7864145 0.78 IDO1 (0.54) NPY5R
SCHEMBL11955192 0.77 NOTUM (0.52) KCNH2SCN10ANPY5RHDAC6HDAC1
SCHEMBL31234168 0.77 XDH (0.57) XDHUSP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024175804-A1 NUCLEAR TRANSPORT MODULATORS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2024-08-29 WO disclosed
WO-2011072207-A1 AZOCYCLIC INHIBITORS OF FATTY ACID AMIDE HYDROLASE E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-06-16 WO disclosed