SCHEMBL31318541

SCHEMBL31318541

COc1c(Cl)cc(C(=O)N2CC3(CC3)Oc3ccncc32)cc1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 2/20 0.46
SLC22A6 Q4U2R8 1/20 0.46
SLC22A8 Q8TCC7 1/20 0.46
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 1/20 0.34
TUBA4A P68366 1/20 0.34
TUBB4B P68371 1/20 0.34
TUBB3 Q13509 1/20 0.34
TUBB2A Q13885 1/20 0.34
TUBB8 Q3ZCM7 1/20 0.34
TUBA3E Q6PEY2 1/20 0.34
TUBA1A Q71U36 1/20 0.34
TUBA1C Q9BQE3 1/20 0.34
TUBB6 Q9BUF5 1/20 0.34
TUBB2B Q9BVA1 1/20 0.34
TUBB1 Q9H4B7 1/20 0.34
TACR2 P21452 1/20 0.32
TACR1 P25103 1/20 0.32

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
SCHEMBL31318505 0.93 SLC22A6 (0.50) SLC22A12SLC22A6SLC22A8TUBB4ATUBB
SCHEMBL31318501 0.93 SLC22A12 (0.41) SLC22A12SLC22A6SLC22A8MEN1RAB9A
SCHEMBL31318535 0.89 SLC22A12 (0.38) SLC22A12SLC22A6SLC22A8MEN1RAB9A
SCHEMBL31318529 0.87 SLC22A12 (0.57) SLC22A12SLC22A6SLC22A8GPBAR1
SCHEMBL31318528 0.86 SLC22A6 (0.36) SLC22A12SLC22A6SLC22A8MEN1KMT2A
SCHEMBL31318558 0.84 SLC22A6 (0.41) SLC22A12SLC22A6SLC22A8HTTCYP11B2
SCHEMBL31318506 0.83 SLC22A12 (0.48) SLC22A12SLC22A6SLC22A8GPBAR1
SCHEMBL31318543 0.83 SLC22A12 (0.65) SLC22A12SLC22A6SLC22A8MEN1KMT2A
SCHEMBL1191274 0.82 SLC22A6 (0.51) SLC22A12SLC22A6SLC22A8TUBB4ATUBB
SCHEMBL31318517 0.79 SIRT3 (0.41) SLC22A12TUBB4ATUBBTUBA3CTUBA1B

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