SCHEMBL31318545

SCHEMBL31318545

COc1c(Br)cc(C(=O)N2CC3(CC3)Oc3ncccc32)cc1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 2/20 0.39
TUBB P07437 2/20 0.39
TUBA3C P0DPH7 2/20 0.39
TUBA1B P68363 2/20 0.39
TUBA4A P68366 2/20 0.39
TUBB4B P68371 2/20 0.39
TUBB3 Q13509 2/20 0.39
TUBB2A Q13885 2/20 0.39
TUBB8 Q3ZCM7 2/20 0.39
TUBA3E Q6PEY2 2/20 0.39
TUBA1A Q71U36 2/20 0.39
TUBA1C Q9BQE3 2/20 0.39
TUBB6 Q9BUF5 2/20 0.39
TUBB2B Q9BVA1 2/20 0.39
TUBB1 Q9H4B7 2/20 0.39
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.34
CDK5 Q00535 1/20 0.34
CDK5R1 Q15078 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL31318520 0.88 MEN1 (0.36) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL31318570 0.88 PDE4B (0.39) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL31318512 0.87 SLC22A12 (0.44) TP53MAPTSLC22A12THRBSLC22A6
SCHEMBL31318493 0.83 LMNA (0.42) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL31318550 0.81 ALDH1A1 (0.38) LMNAMAPTSLC22A12KDM4EALDH1A1
SCHEMBL31318505 0.80 SLC22A6 (0.50) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL31318542 0.79 SLC22A12 (0.44) TP53SLC22A12SLC22A6
SCHEMBL31318524 0.79 SLC22A12 (0.38) TSHRSLC22A12CYP2C19ALDH1A1
SCHEMBL31318507 0.76 TUBB4A (0.37) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL31318568 0.72 LMNA (0.42) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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