SCHEMBL31318525

SCHEMBL31318525

COc1c(Cl)cc(C(=O)N2CC3(CC3)Oc3cc(Br)ccc32)cc1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38
TUBB8 Q3ZCM7 1/20 0.38
TUBA3E Q6PEY2 1/20 0.38
TUBA1A Q71U36 1/20 0.38
TUBA1C Q9BQE3 1/20 0.38
TUBB6 Q9BUF5 1/20 0.38
TUBB2B Q9BVA1 1/20 0.38
TUBB1 Q9H4B7 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MAPT P10636 7/20 0.37
MAPK1 P28482 4/20 0.37
ALDH1A1 P00352 4/20 0.37
GAA P10253 3/20 0.37

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
SCHEMBL31318491 0.90 TUBB4A (0.43) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL31318548 0.88 ALDH1A1 (0.40) SMN1; SMN2MAPTMAPK1ALDH1A1GAA
SCHEMBL31318498 0.87 SLC22A12 (0.44) SMN1; SMN2MAPTMAPK1ALDH1A1GAA
SCHEMBL31318564 0.84 ALDH1A1 (0.35) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL31318528 0.83 SLC22A6 (0.36) SMN1; SMN2MAPTMAPK1ALDH1A1GAA
SCHEMBL31318552 0.80 TUBB4A (0.43) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL31318550 0.80 ALDH1A1 (0.38) SMN1; SMN2MAPTMAPK1ALDH1A1GAA
SCHEMBL31318569 0.80 SLC22A12 (0.55) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL31318517 0.77 SIRT3 (0.41) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL31318513 0.75 MEN1 (0.42) SMN1; SMN2MAPTALDH1A1GAAHSP90AA1

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