SCHEMBL3349649

SCHEMBL3349649

O=C(O)CCc1cc(-c2cccc(OC(F)(F)F)c2)cc2[nH]c(=O)c(C(=O)c3ccccc3)nc12

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.45
FFAR4 Q5NUL3 1/20 0.45
DHODH Q02127 2/20 0.42
MGLL Q99685 4/20 0.40
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
MME P08473 1/20 0.39
SLC13A5 Q86YT5 1/20 0.38
XDH P47989 1/20 0.37
HDAC6 Q9UBN7 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
PIM1 P11309 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
GCGR P47871 1/20 0.36
CTSA P10619 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36

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
SCHEMBL3430044 0.86 FFAR1 (0.48) FFAR1FFAR4DHODHMGLLMME
SCHEMBL3431483 0.79 FFAR1 (0.43) FFAR1FFAR4DHODHMGLLMME
SCHEMBL3430623 0.76 FFAR1 (0.43) FFAR1FFAR4DHODHHPGDHTT
SCHEMBL3347691 0.76 FFAR4 (0.40) FFAR1FFAR4DHODHGRIN1GRIN2B
SCHEMBL3353013 0.75 DHODH (0.45) FFAR1FFAR4DHODHMGLLSLC13A5
SCHEMBL3346002 0.75 GRIN2D (0.41) FFAR1FFAR4DHODHGRIN1GRIN2B
SCHEMBL3352922 0.73 GSK3B (0.38) FFAR1FFAR4DHODHPIM1PIM2
SCHEMBL3346086 0.72 PTGER4 (0.44) DHODHGRIN1GRIN2B
SCHEMBL3346362 0.71 DHODH (0.39) DHODHXDHHDAC6GRIN1GRIN2B
SCHEMBL3430136 0.70 DHODH (0.39) DHODHHPGDXDHHDAC6GRIN1

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-2010053757-A1 2 -OXOQUINOXALIN BLOCKERS OF THE LATE SODIUM CHANNEL GILEAD PALO ALTO, INC. (US) 2010-05-14 WO disclosed