SCHEMBL5313162

SCHEMBL5313162

O=C(O)c1ccc(-c2ccc(C(=O)c3ccccc3C(F)(F)F)nc2)nn1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.48
LTC4S Q16873 1/20 0.43
ASPH Q12797 1/20 0.42
KMO O15229 2/20 0.41
RORC P51449 7/20 0.40
CTNNB1 P35222 1/20 0.39
WNT3A P56704 1/20 0.39
GAA P10253 2/20 0.38
LMNA P02545 1/20 0.38
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
SCD O00767 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
SCHEMBL5313203 0.89 CNR2 (0.53) CNR2LTC4SASPHKMORORC
SCHEMBL5307870 0.86 ASPH (0.43) ASPHKMOSCD
SCHEMBL5310783 0.81 SCD (0.46) CNR2SCD
SCHEMBL5312220 0.80 SCD (0.47) SCD
SCHEMBL5310364 0.80 CNR2 (0.47) CNR2LTC4SASPHKMORORC
SCHEMBL5313732 0.79 NPC1 (0.46) GAALMNASCD
SCHEMBL5307859 0.74 CNR2 (0.42) CNR2LTC4SKMORORCCTNNB1
SCHEMBL5307724 0.74 USP30 (0.47) CNR2GAALMNASCD
SCHEMBL5376686 0.74 NPC1 (0.39) ASPHKMOSCD
SCHEMBL5313199 0.74 HPGDS (0.52) CNR2

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