SCHEMBL14744206

SCHEMBL14744206

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 1/20 0.45
GRIN2B Q13224 1/20 0.40
MAP2 P11137 1/20 0.40
ALOX5AP P20292 1/20 0.40
FEN1 P39748 1/20 0.40
PDK2 Q15119 1/20 0.40
SCN10A Q9Y5Y9 1/20 0.39
RORC P51449 3/20 0.39
SCN9A Q15858 3/20 0.38
POLB P06746 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TRPA1 O75762 1/20 0.38
HTR1A P08908 2/20 0.38
HTR1D P28221 2/20 0.38
HTR1B P28222 2/20 0.38
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
HTR1E P28566 2/20 0.38
HTR7 P34969 2/20 0.38
HTR2B P41595 2/20 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
SCHEMBL30321020 0.88 RORC (0.45) PLA2G7GRIN2BMAP2ALOX5APFEN1
SCHEMBL14744245 0.88 RORC (0.45) PLA2G7GRIN2BMAP2ALOX5APFEN1
SCHEMBL14744202 0.79 RORC (0.50) MAP2RORC
SCHEMBL30320910 0.79 RORC (0.50) MAP2RORC
SCHEMBL5175734 0.79 RORC (0.42) RORCHTR1AHTR1DHTR1BHTR2A
SCHEMBL14744501 0.79 ALOX5AP (0.43) GRIN2BMAP2ALOX5APFEN1SCN10A
SCHEMBL30026839 0.78 PLA2G7 (0.45) PLA2G7RORCPOLBNPSR1HTR1A
SCHEMBL24032682 0.78 POLB (0.62) ALOX5APFEN1PDK2SCN10ARORC
SCHEMBL30320923 0.78 POLB (0.62) ALOX5APFEN1PDK2SCN10ARORC
SCHEMBL1555931 0.78 CYP3A4 (0.46) GRIN2BPOLBHTR2ACYP3A4TSHR

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