SCHEMBL31318565

SCHEMBL31318565

COc1c(Br)cc(C(=O)N2CC3(CC3)[S+]([O-])c3ccccc32)cc1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
TUBB4A P04350 2/20 0.40
TUBB P07437 2/20 0.40
TUBA3C P0DPH7 2/20 0.40
TUBA1B P68363 2/20 0.40
TUBA4A P68366 2/20 0.40
TUBB4B P68371 2/20 0.40
TUBB3 Q13509 2/20 0.40
TUBB2A Q13885 2/20 0.40
TUBB8 Q3ZCM7 2/20 0.40
TUBA3E Q6PEY2 2/20 0.40
TUBA1A Q71U36 2/20 0.40
TUBA1C Q9BQE3 2/20 0.40
TUBB6 Q9BUF5 2/20 0.40
TUBB2B Q9BVA1 2/20 0.40
TUBB1 Q9H4B7 2/20 0.40
TSHR P16473 3/20 0.37
TACR2 P21452 1/20 0.35
TACR1 P25103 1/20 0.35
SMN1; SMN2 Q16637 2/20 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
SCHEMBL31318531 0.87 LMNA (0.38) LMNATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL31318549 0.87 SLC22A12 (0.39) LMNATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL31318497 0.87 SLC22A12 (0.40) RAB9AALDH1A1THRBKDM4EMEN1
SCHEMBL31318561 0.78 SLC22A12 (0.48) MEN1KMT2A
SCHEMBL31318534 0.78 SLC22A12 (0.42) LMNASMN1; SMN2BRD4ALDH1A1MEN1
SCHEMBL31318493 0.76 LMNA (0.42) LMNATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL31318559 0.74 SLC22A12 (0.43) LMNATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL31318568 0.74 LMNA (0.42) LMNATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL31318545 0.69 TUBB4A (0.39) LMNATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL31318540 0.68 NOTUM (0.56) LMNATUBB4ATUBBTUBA3CTUBA1B

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