SCHEMBL31318510

SCHEMBL31318510

COc1c(Cl)cc(C(=O)N2CC3(CC3)Sc3ccccc32)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 2/20 0.41
LMNA P02545 2/20 0.39
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
TAS1R2 Q8TE23 1/20 0.38
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37
TUBB3 Q13509 1/20 0.37
TUBB2A Q13885 1/20 0.37
TUBB8 Q3ZCM7 1/20 0.37
TUBA3E Q6PEY2 1/20 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
SCHEMBL31318514 0.87 LMNA (0.39) SLC22A12LMNAALDH1A1THRBTUBB4A
SCHEMBL31318568 0.87 LMNA (0.42) LMNAALDH1A1THRBTUBB4ATUBB
SCHEMBL31318576 0.86 SLC22A12 (0.50) SLC22A12ALDH1A1CYP2C9ABCG2HSD11B1
SCHEMBL10324036 0.80 SLC22A12 (0.47) SLC22A12LMNAALDH1A1KDM4EL3MBTL1
SCHEMBL31318509 0.78 MAPT (0.56) LMNAKDM4EL3MBTL1MAPTTHRB
SCHEMBL31318562 0.77 SLC22A12 (0.39) SLC22A12ALDH1A1KDM4EL3MBTL1MAPT
SCHEMBL31318517 0.76 SIRT3 (0.41) SLC22A12LMNAALDH1A1KDM4EL3MBTL1
SCHEMBL31318537 0.76 SLC22A12 (0.53) SLC22A12LMNAALDH1A1KDM4EL3MBTL1
SCHEMBL31318549 0.74 SLC22A12 (0.39) SLC22A12LMNAALDH1A1KDM4EL3MBTL1
SCHEMBL10322242 0.73 SLC22A12 (0.46) SLC22A12LMNAMAPTTHRBTUBB4A

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