SCHEMBL14980642

SCHEMBL14980642

NC(CS)c1ccc(F)c(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 2/20 0.39
ENPEP Q07075 1/20 0.39
EPHX1 P07099 1/20 0.36
MPL P40238 3/20 0.36
RPS6KB1 P23443 1/20 0.35
SLC22A12 Q96S37 1/20 0.34
AKT1 P31749 2/20 0.33
PDE2A O00408 1/20 0.33
DPP4 P27487 1/20 0.33
SLC6A4 P31645 1/20 0.33
AR P10275 1/20 0.33
SCN8A Q9UQD0 1/20 0.32
NR3C2 P08235 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
SCHEMBL14980644 0.86 KIF11 (0.42) ANPEPENPEPPDE2A
SCHEMBL15157757 0.83 SLC6A4 (0.44) EPHX1MPLAKT1PDE2ASLC6A4
SCHEMBL8511924 0.83 TRPV3 (0.40) EPHX1MPLAKT1PDE2AAR
SCHEMBL2397716 0.83 SLC6A4 (0.44) EPHX1MPLAKT1PDE2ASLC6A4
SCHEMBL16464215 0.83 TRPV3 (0.40) EPHX1MPLAKT1PDE2AAR
SCHEMBL8511925 0.83 TRPV3 (0.40) EPHX1MPLAKT1PDE2AAR
SCHEMBL297430 0.83 SLC6A4 (0.44) EPHX1MPLAKT1PDE2ASLC6A4
SCHEMBL14981099 0.81 IDO1 (0.45) ANPEPENPEPRPS6KB1
SCHEMBL2399594 0.80 CTSS (0.36) EPHX1MPLAKT1SLC6A4AR
SCHEMBL14981093 0.80 ANPEP (0.44) ANPEPENPEPDPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3184527-A1 2,6-DIOXO,-2,3-DIHYDRO-1H-PURINE COMPOUNDS USEFUL FOR TREATING DISORDERS RELATED TO THE ACTIVITY OF THE TRPA1 CHANNEL Hydra Biosciences, Inc. (US) 2017-06-28 EP disclosed
EP-2411397-B1 ISOTHIAZOLO-PYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS SA (CH) 2013-05-29 EP disclosed
EP-2411396-B1 THIENOPYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS SA (CH) 2013-05-29 EP disclosed
EP-2411395-B1 FUROPYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS SA (CH) 2013-05-29 EP disclosed