SCHEMBL14744308

SCHEMBL14744308

COc1ncc(-c2cc(N)ccc2-c2ccccc2OC(F)(F)F)cn1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 5/20 0.45
FEN1 P39748 5/20 0.45
SCN9A Q15858 5/20 0.39
TRPA1 O75762 1/20 0.39
FYN P06241 1/20 0.38
SCN10A Q9Y5Y9 3/20 0.38
ABL1 P00519 3/20 0.38
RORC P51449 1/20 0.38
S1PR1 P21453 1/20 0.38

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
SCHEMBL14744477 0.88 ALOX5AP (0.46) ALOX5APFEN1SCN9ATRPA1SCN10A
SCHEMBL14743932 0.83 RORC (0.48) ALOX5APFEN1SCN9ATRPA1SCN10A
SCHEMBL14746840 0.81 PTPRC (0.40) ALOX5APFEN1ABL1RORC
SCHEMBL14744456 0.79 ALOX5AP (0.45) ALOX5APFEN1SCN9ATRPA1S1PR1
SCHEMBL14746755 0.78 RORC (0.54) ALOX5APFEN1SCN9ASCN10ARORC
SCHEMBL529353 0.73 IMPDH2 (0.51) ALOX5APFEN1FYNABL1
SCHEMBL14744102 0.72 RORC (0.49) ALOX5APFEN1SCN9ASCN10ARORC
SCHEMBL14746770 0.71 SCN10A (0.50) ALOX5APFEN1SCN9ASCN10AS1PR1
SCHEMBL24032682 0.71 POLB (0.62) ALOX5APFEN1SCN9ATRPA1SCN10A
SCHEMBL14744206 0.71 PLA2G7 (0.45) ALOX5APFEN1SCN9ATRPA1SCN10A

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