SCHEMBL31318570

SCHEMBL31318570

COc1c(F)cc(C(=O)N2CC3(CC3)Oc3ncccc32)cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.39
PDE4D Q08499 2/20 0.39
LMNA P02545 1/20 0.35
PDE4A P27815 1/20 0.34
PDE4C Q08493 1/20 0.34
CDK5 Q00535 1/20 0.34
CDK5R1 Q15078 1/20 0.34
TP53 P04637 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MGLL Q99685 1/20 0.33
GPR52 Q9Y2T5 1/20 0.33
MAPT P10636 1/20 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

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
SCHEMBL31318545 0.88 TUBB4A (0.39) PDE4BPDE4DLMNACDK5CDK5R1
SCHEMBL31318520 0.88 MEN1 (0.36) LMNACDK5CDK5R1TP53ALDH1A1
SCHEMBL31318524 0.87 SLC22A12 (0.38) SMN1; SMN2ALDH1A1RORCACACB
SCHEMBL31318544 0.83 SIRT3 (0.41) LMNASMN1; SMN2ALDH1A1TUBB4ATUBB
SCHEMBL31318550 0.81 ALDH1A1 (0.38) LMNASMN1; SMN2ALDH1A1L3MBTL1MAPT
SCHEMBL31318558 0.80 SLC22A6 (0.41) PDE4BPDE4DLMNAPDE4APDE4C
SCHEMBL31318512 0.79 SLC22A12 (0.44) TP53SMN1; SMN2ALDH1A1L3MBTL1MAPT
SCHEMBL31318542 0.79 SLC22A12 (0.44) TP53
SCHEMBL31318552 0.76 TUBB4A (0.43) LMNAALDH1A1MAPTTUBB4ATUBB
SCHEMBL31318514 0.72 LMNA (0.39) LMNASMN1; SMN2ALDH1A1TUBB4ATUBB

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