SCHEMBL5310364

SCHEMBL5310364

O=C(O)c1ccc(-c2ccc(C(=O)c3ccccc3C(F)(F)F)cc2)cn1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.47
LTC4S Q16873 2/20 0.47
RORC P51449 4/20 0.47
CDC25B P30305 1/20 0.47
ATM Q13315 1/20 0.47
NR1H2 P55055 2/20 0.46
NR1H3 Q13133 2/20 0.46
ASPH Q12797 1/20 0.43
P4HTM Q9NXG6 2/20 0.43
P4HA1 P13674 1/20 0.43
MIF P14174 1/20 0.43
EPHX2 P34913 1/20 0.41
CTNNB1 P35222 1/20 0.40
WNT3A P56704 1/20 0.40
KMO O15229 1/20 0.40

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
SCHEMBL5313203 0.91 CNR2 (0.53) CNR2LTC4SRORCNR1H2NR1H3
SCHEMBL5307717 0.85 ASPH (0.45) ASPHP4HTMP4HA1MIFKMO
SCHEMBL5313162 0.80 CNR2 (0.48) CNR2LTC4SRORCNR1H2NR1H3
SCHEMBL5315546 0.79 SCD (0.51)
SCHEMBL3717986 0.77 GAA (0.56) CNR2NR1H2NR1H3CTNNB1WNT3A
SCHEMBL31369140 0.77 GAA (0.56) CNR2NR1H2NR1H3CTNNB1WNT3A
SCHEMBL5315830 0.75 ASPH (0.48) ASPHP4HTMKMO
SCHEMBL71034 0.75 HIF1A (0.55) P4HTMP4HA1MIF
SCHEMBL29929320 0.75 HIF1A (0.55) P4HTMP4HA1MIF
SCHEMBL5131139 0.74 KMT2A (0.53) ASPHP4HTMP4HA1MIF

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-2007044085-A2 HETEROARYL COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2007-04-19 WO disclosed