SCHEMBL3353013

SCHEMBL3353013

CC(C)(C)c1nc2c(CC(=O)O)cc(-c3cccc(OC(F)(F)F)c3)cc2[nH]c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 4/20 0.45
PIM1 P11309 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
XDH P47989 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
MGLL Q99685 1/20 0.38
CTSA P10619 4/20 0.38
SLC13A5 Q86YT5 1/20 0.38
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
PDE2A O00408 1/20 0.37

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
SCHEMBL3347753 0.90 DHODH (0.41) DHODHPIM1PIM2FFAR1FFAR4
SCHEMBL3431483 0.89 FFAR1 (0.43) DHODHPIM1PIM2FFAR1FFAR4
SCHEMBL3430749 0.89 GAA (0.43) DHODHFFAR1FFAR4GRIN2DGRIN3B
SCHEMBL3346362 0.84 DHODH (0.39) DHODHPIM1PIM2XDHGRIN1
SCHEMBL3350657 0.83 DHODH (0.41) DHODHPTGDR2CYP1A2CYP3A4CYP2C9
SCHEMBL3347691 0.82 FFAR4 (0.40) DHODHFFAR1FFAR4GRIN1GRIN2B
SCHEMBL3430044 0.80 FFAR1 (0.48) DHODHPIM1PIM2FFAR1FFAR4
SCHEMBL3346002 0.80 GRIN2D (0.41) DHODHFFAR1FFAR4GRIN2DGRIN3B
SCHEMBL3346086 0.77 PTGER4 (0.44) DHODHGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4727593 0.77 KDM4E (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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