SCHEMBL8363012

SCHEMBL8363012

Cc1ccc(Sc2nccs2)cc1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 12/20 0.71
PDK1 Q15118 1/20 0.48
ICAM1 P05362 1/20 0.45
SELE P16581 1/20 0.45
VCAM1 P19320 1/20 0.45
MGAM O43451 1/20 0.44
GAA P10253 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MLYCD O95822 1/20 0.42
DCUN1D1 Q96GG9 2/20 0.41
HTR7 P34969 1/20 0.41
UBE2M P61081 1/20 0.40
DCUN1D2 Q6PH85 1/20 0.40
DCUN1D3 Q8IWE4 1/20 0.40
DCUN1D4 Q92564 1/20 0.40
DCUN1D5 Q9BTE7 1/20 0.40

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
SCHEMBL28381140 0.83 FBP1 (1.00) FBP1PDK1ICAM1SELEVCAM1
SCHEMBL5564912 0.81 FBP1 (0.71) FBP1PDK1NPC1RAB9AHTR7
SCHEMBL10395762 0.80 FBP1 (0.47) FBP1PDK1HTR7
SCHEMBL2982080 0.80 FBP1 (0.52) FBP1PDK1MGAMGAASI
SCHEMBL9049842 0.78 HPGD (0.56) FBP1PDK1NPC1RAB9A
SCHEMBL14351636 0.77 FBP1 (0.44) FBP1PDK1
SCHEMBL7114230 0.76 FBP1 (0.70) FBP1PDK1HTR7
SCHEMBL11588285 0.75 FBP1 (0.46) FBP1PDK1MGAMGAASI
SCHEMBL4037471 0.74 GAA (0.51) FBP1PDK1MGAMGAASI
SCHEMBL11586920 0.73 PTGS2 (0.43) FBP1GAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119038776-A Nanometer water purifying method for removing metal ions from industrial wastewater and application thereof 江西达标环保科技有限公司 2024-11-29 CN disclosed
WO-2003007954-A2 SULFONYL ARYL HYDROXAMATES AND THEIR USE AS MATRIX METALLOPROTEASE INHIBITORS PHARMACIA CORPORATION (US) 2003-01-30 WO disclosed