SCHEMBL19857041

SCHEMBL19857041

Cc1cc(-c2cccc(OCc3ncccn3)c2)ccc1OC(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 13/20 0.45
SCN5A Q14524 1/20 0.42
S1PR1 P21453 1/20 0.40
PPARA Q07869 2/20 0.40
CTSA P10619 1/20 0.39
SYK P43405 1/20 0.38
SLC6A7 Q99884 1/20 0.38
DYRK1A Q13627 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37

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
SCHEMBL19857045 0.86 PPARD (0.46) PPARDSCN5AS1PR1PPARASYK
SCHEMBL19857039 0.83 SCN5A (0.46) PPARDSCN5ACTSASYKSLC6A7
SCHEMBL19857042 0.80 PDE4A (0.45) PPARDSCN5ASYKDYRK1APDE4A
SCHEMBL16821736 0.77 SCN5A (0.38) PPARDSCN5AS1PR1SYKDYRK1A
SCHEMBL16821787 0.76 GRM2 (0.37) PPARDSCN5AS1PR1DYRK1A
SCHEMBL19857043 0.75 CTSA (0.51) PPARDCTSASYKDYRK1APDE4A
SCHEMBL16824800 0.73 PDE4A (0.48) SYKDYRK1APDE4APDE4BPDE4C
SCHEMBL16821859 0.73 SCN5A (0.35) PPARDSCN5AS1PR1SYK
SCHEMBL16821855 0.73 GRM5 (0.42) S1PR1CTSASYKSLC6A7DYRK1A
SCHEMBL16821806 0.72 S1PR1 (0.39) PPARDSCN5AS1PR1SYKDYRK1A

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
EP-3092234-B1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES INC (US) 2018-02-14 EP disclosed