SCHEMBL31318529

SCHEMBL31318529

O=C(c1cc(Cl)c(O)c(Br)c1)N1CC2(CC2)Oc2ccncc21

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 12/20 0.57
SLC22A6 Q4U2R8 1/20 0.57
SLC22A8 Q8TCC7 1/20 0.57
CYP2C9 P11712 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.34
GPBAR1 Q8TDU6 1/20 0.30

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
SCHEMBL31318543 0.93 SLC22A12 (0.65) SLC22A12SLC22A6SLC22A8
SCHEMBL31318506 0.93 SLC22A12 (0.48) SLC22A12SLC22A6SLC22A8CYP2C9ABCG2
SCHEMBL31318515 0.88 SLC22A12 (0.44) SLC22A12SLC22A6SLC22A8CYP2C9ABCG2
SCHEMBL31318541 0.87 SLC22A12 (0.46) SLC22A12SLC22A6SLC22A8GPBAR1
SCHEMBL31318532 0.85 SLC22A12 (0.42) SLC22A12SLC22A6SLC22A8CYP2C9ABCG2
SCHEMBL31318505 0.83 SLC22A6 (0.50) SLC22A12SLC22A6SLC22A8
SCHEMBL31318501 0.83 SLC22A12 (0.41) SLC22A12SLC22A6SLC22A8
SCHEMBL31318557 0.82 SLC22A12 (0.48) SLC22A12SLC22A6SLC22A8
SCHEMBL1191241 0.80 SLC22A12 (0.65) SLC22A12SLC22A6SLC22A8
SCHEMBL31318539 0.77 SLC22A12 (0.50) SLC22A12SLC22A6CYP2C9ABCG2

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