SCHEMBL31318569

SCHEMBL31318569

O=C(c1cc(Cl)c(O)c(Cl)c1)N1CC2(CC2)Oc2cc(Br)ccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 16/20 0.55
ABCG2 Q9UNQ0 2/20 0.40
CYP2C9 P11712 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.34
SLC22A6 Q4U2R8 2/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 1/20 0.33
TUBB2A Q13885 1/20 0.33
TUBB8 Q3ZCM7 1/20 0.33
TUBA3E Q6PEY2 1/20 0.33
TUBA1A Q71U36 1/20 0.33
TUBA1C Q9BQE3 1/20 0.33
TUBB6 Q9BUF5 1/20 0.33
TUBB2B Q9BVA1 1/20 0.33
TUBB1 Q9H4B7 1/20 0.33

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
SCHEMBL31318498 0.89 SLC22A12 (0.44) SLC22A12ABCG2CYP2C9SMN1; SMN2TTR
SCHEMBL31318491 0.87 TUBB4A (0.43) SLC22A12SMN1; SMN2TUBB4ATUBBTUBA3C
SCHEMBL31318563 0.86 SLC22A12 (0.39) SLC22A12SLC22A6TUBB4ATUBBTUBA3C
SCHEMBL31318539 0.85 SLC22A12 (0.50) SLC22A12ABCG2CYP2C9SLC22A6
SCHEMBL31318525 0.80 TUBB4A (0.38) SLC22A12SMN1; SMN2TUBB4ATUBBTUBA3C
SCHEMBL31318506 0.79 SLC22A12 (0.48) SLC22A12ABCG2CYP2C9SLC22A6SLC22A8
SCHEMBL31318552 0.78 TUBB4A (0.43) SLC22A12TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL31318547 0.77 SLC22A12 (0.39) SLC22A12ABCG2CYP2C9
SCHEMBL31318529 0.77 SLC22A12 (0.57) SLC22A12ABCG2CYP2C9SLC22A6SLC22A8
SCHEMBL31318523 0.75 SLC22A12 (0.44) SLC22A12ABCG2CYP2C9SLC22A6SLC22A8

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