SCHEMBL3347753

SCHEMBL3347753

CC(C)(C)OC(=O)Cc1cc(-c2cccc(OC(F)(F)F)c2)cc2[nH]c(=O)c(C(C)(C)C)nc12

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.41
PIM1 P11309 3/20 0.38
PIM2 Q9P1W9 1/20 0.38
XDH P47989 1/20 0.38
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
TRPC5 Q9UL62 1/20 0.35
MAPK14 Q16539 1/20 0.35
MGLL Q99685 1/20 0.35
TRPA1 O75762 1/20 0.35
KCNH2 Q12809 1/20 0.35
SCN10A Q9Y5Y9 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
GRIN1 Q05586 3/20 0.35
GRIN2B Q13224 3/20 0.35
FFAR1 O14842 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34

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
SCHEMBL3353013 0.90 DHODH (0.45) DHODHPIM1PIM2XDHCYP1A2
SCHEMBL3431483 0.83 FFAR1 (0.43) DHODHPIM1PIM2XDHTRPC5
SCHEMBL3346362 0.81 DHODH (0.39) DHODHPIM1PIM2XDHTRPA1
SCHEMBL3430749 0.79 GAA (0.43) DHODHCYP1A2CYP2C19GRIN1GRIN2B
SCHEMBL3347691 0.76 FFAR4 (0.40) DHODHGRIN1GRIN2BFFAR1FFAR4
SCHEMBL3430044 0.74 FFAR1 (0.48) DHODHPIM1PIM2XDHMGLL
SCHEMBL3350657 0.73 DHODH (0.41) DHODHCYP1A2CYP3A4CYP2C9
SCHEMBL3346086 0.71 PTGER4 (0.44) DHODHCYP2C9GRIN1GRIN2B
SCHEMBL3349649 0.70 FFAR1 (0.45) DHODHPIM1PIM2XDHMGLL
SCHEMBL3430136 0.69 DHODH (0.39) DHODHPIM1PIM2XDHTRPA1

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 claimed