SCHEMBL10141348

SCHEMBL10141348

COC(=O)Cc1ccc(S(=O)(=O)I)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.56
CYP4A11 Q02928 1/20 0.56
MMP9 P14780 1/20 0.50
SMN1; SMN2 Q16637 7/20 0.49
ALDH1A1 P00352 4/20 0.49
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
GAA P10253 2/20 0.49
KDM4E B2RXH2 1/20 0.49
HPGD P15428 1/20 0.49
CTSG P08311 1/20 0.47
CMA1 P23946 1/20 0.47
GFER P55789 1/20 0.46
HSP90AB1 P08238 1/20 0.46
LMNA P02545 3/20 0.43
MAPT P10636 2/20 0.43
TP53 P04637 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HTT P42858 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL1096091 0.84 CYP4F2 (0.58) CYP4F2CYP4A11MMP9SMN1; SMN2ALDH1A1
SCHEMBL4113212 0.82 CYP4F2 (0.76) CYP4F2CYP4A11SMN1; SMN2ALDH1A1NPC1
SCHEMBL184666 0.82 CYP4F2 (0.56) CYP4F2CYP4A11MMP9SMN1; SMN2ALDH1A1
SCHEMBL22664337 0.82 CA2 (0.58) CYP4F2CYP4A11SMN1; SMN2ALDH1A1GAA
SCHEMBL257153 0.82 MMP9 (0.57) CYP4F2CYP4A11MMP9SMN1; SMN2ALDH1A1
SCHEMBL23665692 0.81 CYP4F2 (0.54) CYP4F2CYP4A11MMP9SMN1; SMN2ALDH1A1
SCHEMBL24032613 0.81 SMN1; SMN2 (0.59) CYP4F2CYP4A11MMP9SMN1; SMN2ALDH1A1
SCHEMBL175501 0.78 CYP4F2 (0.60) CYP4F2CYP4A11MMP9SMN1; SMN2ALDH1A1
SCHEMBL12440455 0.78 ALDH1A1 (0.60) CYP4F2CYP4A11SMN1; SMN2ALDH1A1NPC1
SCHEMBL829305 0.77 CYP4F2 (0.63) CYP4F2CYP4A11SMN1; SMN2ALDH1A1NPC1

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
WO-2012020357-A1 ACETAMIDE COMPOUNDS, THEIR PROCESS AND PHARMACEUTICAL APPLICATION ADVINUS THERAPEUTICS LTD. (IN) 2012-02-16 WO disclosed