SCHEMBL14746702

SCHEMBL14746702

Nc1ccc(-c2ccccc2OC(F)(F)F)c(-n2cccc2)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
SCN9A Q15858 11/20 0.39
SCN10A Q9Y5Y9 4/20 0.39
KCNN4 O15554 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PKM P14618 1/20 0.38
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
HSD11B1 P28845 1/20 0.36
SCN5A Q14524 2/20 0.35
PDK2 Q15119 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN3A Q9NY46 1/20 0.35

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
SCHEMBL14744504 0.81 S1PR1 (0.49) ALOX5APFEN1SCN9ASCN10AKCNN4
SCHEMBL14747148 0.81 SCN10A (0.41) ALOX5APFEN1SCN9ASCN10AKCNN4
SCHEMBL14746703 0.79 SCN10A (0.41) SCN9ASCN10AALDH1A1SCN5APDK2
SCHEMBL14744245 0.77 RORC (0.45) ALOX5APFEN1SCN9ASCN10APDK2
SCHEMBL30321020 0.77 RORC (0.45) ALOX5APFEN1SCN9ASCN10APDK2
SCHEMBL24032682 0.77 POLB (0.62) ALOX5APFEN1SCN9ASCN10AKDM4E
SCHEMBL30320923 0.77 POLB (0.62) ALOX5APFEN1SCN9ASCN10AKDM4E
SCHEMBL14744206 0.74 PLA2G7 (0.45) ALOX5APFEN1SCN9ASCN10AALDH1A1
SCHEMBL14746783 0.73 KDM4E (0.43) ALOX5APFEN1SCN9ASCN10AALDH1A1
SCHEMBL714264 0.73 TSHR (0.48) ALOX5APFEN1SCN10AALDH1A1PDK2

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