SCHEMBL14744175

SCHEMBL14744175

Nc1ccc(-c2ccccc2OC(F)(F)F)nc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 3/20 0.51
▸ FEN1 P39748 3/20 0.51
▸ MPL P40238 1/20 0.46
▸ RORC P51449 1/20 0.44
▸ CNR2 P34972 1/20 0.44
▸ SCN9A Q15858 6/20 0.44
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ ABL1 P00519 1/20 0.41
▸ GPR84 Q9NQS5 1/20 0.41
▸ TRPA1 O75762 1/20 0.41
▸ HSD11B1 P28845 1/20 0.40
▸ METAP2 P50579 1/20 0.39
▸ FFAR4 Q5NUL3 1/20 0.39
▸ SCN10A Q9Y5Y9 1/20 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
SCHEMBL14988502 0.79 HSP90AA1 (0.50) ALOX5APFEN1METAP2
SCHEMBL29739505 0.79 HSP90AA1 (0.50) ALOX5APFEN1METAP2
SCHEMBL266175 0.78 RORC (0.54) ALOX5APFEN1RORCCNR2SCN9A
SCHEMBL8230055 0.77 GRM5 (0.52) ALOX5APFEN1MPLCNR2SCN9A
SCHEMBL14244577 0.77 ALOX5AP (0.56) ALOX5APFEN1MPLSCN9AABL1
SCHEMBL27470293 0.77 LDHA (0.53) ALOX5APFEN1RORCSCN9AABL1
SCHEMBL3457107 0.76 NCOA1 (0.54) ALOX5APFEN1MEN1KMT2AFFAR4
SCHEMBL14744389 0.76 RORC (0.45) ALOX5APFEN1RORCCNR2SCN9A
SCHEMBL2406803 0.76 ALOX5AP (0.48) ALOX5APFEN1MPLCNR2HSD11B1
SCHEMBL14726481 0.75 MPL (0.76) MPLSCN9AMEN1KMT2A

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
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