SCHEMBL31318558

SCHEMBL31318558

COc1c(F)cc(C(=O)N2CC3(CC3)Oc3ccncc32)cc1F

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.41
SLC22A8 Q8TCC7 1/20 0.41
SLC22A12 Q96S37 1/20 0.41
TDP1 Q9NUW8 1/20 0.32
ROCK2 O75116 1/20 0.32
PDE4B Q07343 2/20 0.32
PDE4D Q08499 2/20 0.32
HTT P42858 1/20 0.32
GPBAR1 Q8TDU6 1/20 0.32
CYP11B2 P19099 2/20 0.31
LMNA P02545 1/20 0.31
CACNA1H O95180 1/20 0.31
TSHR P16473 2/20 0.31
CYP11B1 P15538 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4C Q08493 1/20 0.31
GFER P55789 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL31318535 0.93 SLC22A12 (0.38) SLC22A6SLC22A8SLC22A12ROCK2
SCHEMBL31318501 0.88 SLC22A12 (0.41) SLC22A6SLC22A8SLC22A12TDP1LMNA
SCHEMBL31318505 0.88 SLC22A6 (0.50) SLC22A6SLC22A8SLC22A12TDP1HTT
SCHEMBL31318557 0.87 SLC22A12 (0.48) SLC22A6SLC22A8SLC22A12CYP11B2CYP3A4
SCHEMBL31318544 0.85 SIRT3 (0.41) SLC22A12LMNATSHR
SCHEMBL31318541 0.84 SLC22A12 (0.46) SLC22A6SLC22A8SLC22A12HTTGPBAR1
SCHEMBL31318515 0.83 SLC22A12 (0.44) SLC22A6SLC22A8SLC22A12
SCHEMBL31318552 0.80 TUBB4A (0.43) SLC22A12HTTLMNATSHR
SCHEMBL1190333 0.80 SLC22A12 (0.64) SLC22A6SLC22A8SLC22A12GPBAR1LMNA
SCHEMBL31318570 0.80 PDE4B (0.39) PDE4BPDE4DLMNAPDE4APDE4C

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
CN-119059989-A URAT1 inhibitor, preparation method and application thereof 中国药科大学 2024-12-03 CN disclosed