SCHEMBL13765101

SCHEMBL13765101

Bc1cc(COc2ncc(F)c(N)n2)ccc1F

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RXRA P19793 6/20 0.43
GRIN1 Q05586 6/20 0.43
GRIN2B Q13224 6/20 0.43
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
DCK P27707 8/20 0.34
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
MAOB P27338 1/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33

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
SCHEMBL13529654 0.87 RXRA (0.45) RXRAGRIN1GRIN2BHDAC1HDAC8
SCHEMBL13530230 0.85 RXRA (0.44) RXRAGRIN1GRIN2BHDAC1HDAC8
SCHEMBL14730552 0.84 RXRA (0.40) RXRAGRIN1GRIN2BHDAC1HDAC8
SCHEMBL13530231 0.83 RXRA (0.45) RXRAGRIN1GRIN2BHDAC1HDAC6
SCHEMBL13529535 0.83 RXRA (0.43) RXRAGRIN1GRIN2BHDAC1HDAC8
SCHEMBL13529906 0.83 RXRA (0.46) RXRAGRIN1GRIN2B
SCHEMBL13764973 0.82 RXRA (0.42) RXRAGRIN1GRIN2BHDAC1HDAC8
SCHEMBL13765103 0.82 MAOB (0.40) RXRAGRIN1GRIN2BDCKMAOB
SCHEMBL13529629 0.82 MAOB (0.52) MAOB
SCHEMBL13530393 0.81 DHFR (0.43) RXRAGRIN1GRIN2BDCKMAOB

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-2009094442-A2 5-FLUORO PYRIMIDINE DERIVATIVES DOW AGROSCIENCES LLC (US) 2009-07-30 WO disclosed