SCHEMBL14747148

SCHEMBL14747148

Nc1ccc(-c2ccccc2OC(F)(F)F)c(-n2nccn2)c1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 3/20 0.41
ALOX5AP P20292 1/20 0.40
FEN1 P39748 1/20 0.40
SCN9A Q15858 2/20 0.40
KCNN4 O15554 1/20 0.39
HCRTR1 O43613 13/20 0.39
HCRTR2 O43614 13/20 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
SCHEMBL14746702 0.81 ALOX5AP (0.39) SCN10AALOX5APFEN1SCN9AKCNN4
SCHEMBL14746497 0.79 RECQL (0.41) HCRTR1HCRTR2
SCHEMBL14744504 0.79 S1PR1 (0.49) SCN10AALOX5APFEN1SCN9AKCNN4
SCHEMBL24032682 0.77 POLB (0.62) SCN10AALOX5APFEN1SCN9A
SCHEMBL30320923 0.77 POLB (0.62) SCN10AALOX5APFEN1SCN9A
SCHEMBL14746770 0.75 SCN10A (0.50) SCN10AALOX5APFEN1SCN9AKCNN4
SCHEMBL14744245 0.75 RORC (0.45) SCN10AALOX5APFEN1SCN9A
SCHEMBL30321020 0.75 RORC (0.45) SCN10AALOX5APFEN1SCN9A
SCHEMBL14744102 0.73 RORC (0.49) SCN10AALOX5APFEN1SCN9AKCNN4
SCHEMBL14746755 0.72 RORC (0.54) SCN10AALOX5APFEN1SCN9A

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-2013029338-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-03-07 WO disclosed