SCHEMBL3346002

SCHEMBL3346002

CC(C)(C)c1nc2c(CCC(=O)O)cc(-c3cccc(Oc4ccccc4)c3)cc2[nH]c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 4/20 0.41
GRIN3B O60391 4/20 0.41
GRIN1 Q05586 4/20 0.41
GRIN2A Q12879 4/20 0.41
GRIN2B Q13224 4/20 0.41
GRIN2C Q14957 4/20 0.41
GRIN3A Q8TCU5 4/20 0.41
FFAR4 Q5NUL3 4/20 0.41
FFAR1 O14842 2/20 0.41
DHODH Q02127 3/20 0.40
GPR17 Q13304 1/20 0.38
GAA P10253 1/20 0.37
P2RX3 P56373 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 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
SCHEMBL3430749 0.91 GAA (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3346086 0.90 PTGER4 (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3347691 0.89 FFAR4 (0.40) GRIN1GRIN2BFFAR4FFAR1DHODH
SCHEMBL3350657 0.83 DHODH (0.41) DHODHCYP1A2CHEK2
SCHEMBL3353013 0.80 DHODH (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3346056 0.79 S1PR1 (0.41) FFAR1GPR17RXRARXRB
SCHEMBL3346903 0.78 GRIN2B (0.36) GRIN1GRIN2BFFAR4
SCHEMBL3431063 0.77 ALDH1A1 (0.39) FFAR4GPR17CYP1A2CYP2C19CHEK2
SCHEMBL3349649 0.75 FFAR1 (0.45) GRIN1GRIN2BFFAR4FFAR1DHODH
SCHEMBL3346362 0.75 DHODH (0.39) GRIN1GRIN2BDHODHKDM4EHSD17B10

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