SCHEMBL18190875

SCHEMBL18190875

FC(F)(F)Oc1ccc2nc([AsH2])[nH]c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RUNX1 Q01196 7/20 0.56
CBFB Q13951 3/20 0.56
TRPV1 Q8NER1 2/20 0.56
SCN10A Q9Y5Y9 1/20 0.53
PDE10A Q9Y233 1/20 0.49
EGLN1 Q9GZT9 1/20 0.48
KIF11 P52732 1/20 0.46
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
GMNN O75496 1/20 0.44
USP2 O75604 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
GAA P10253 1/20 0.44
CYP2C9 P11712 1/20 0.44
PKM P14618 1/20 0.44
ALOX15 P16050 1/20 0.44

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
SCHEMBL18190876 0.87 RUNX1 (0.43) RUNX1CBFBTRPV1SCN10APDE10A
SCHEMBL2108297 0.81 RUNX1 (0.56) RUNX1CBFBTRPV1SCN10APDE10A
SCHEMBL10146526 0.81 TRPV1 (0.59) RUNX1CBFBTRPV1SCN10APDE10A
SCHEMBL5807225 0.81 SCN10A (0.56) RUNX1CBFBTRPV1SCN10APDE10A
SCHEMBL13219327 0.81 RUNX1 (0.56) RUNX1CBFBTRPV1SCN10APDE10A
SCHEMBL5807305 0.81 RUNX1 (0.56) RUNX1CBFBTRPV1SCN10APDE10A
SCHEMBL9674405 0.81 KDM4E (0.58) RUNX1CBFBTRPV1SCN10APDE10A
SCHEMBL32674484 0.81 RUNX1 (0.56) RUNX1CBFBTRPV1SCN10APDE10A
SCHEMBL18862110 0.80 SCN10A (0.70) RUNX1CBFBTRPV1SCN10APDE10A
Hydrochloric Acid SCHEMBL9765815 0.79 SCN10A (0.55) RUNX1CBFBTRPV1SCN10APDE10A

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
EP-3265448-A1 RILUZOLE PRODRUGS AND THEIR USE Biohaven Pharmaceutical Holding Company Ltd. (US) 2018-01-10 EP disclosed
WO-2016140879-A9 RILUZOLE PRODRUGS AND THEIR USE BIOHAVEN PHARMACEUTICAL HOLDING COMPANY LTD. (US) 2016-11-03 WO disclosed