SCHEMBL6846853

SCHEMBL6846853

Cc1ccc(SOc2ccc(COC(=O)CC#N)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.39
HPGD P15428 2/20 0.39
MAOB P27338 2/20 0.38
PARP10 Q53GL7 1/20 0.37
ALDH1A1 P00352 4/20 0.37
GAA P10253 3/20 0.37
MMP2 P08253 2/20 0.36
MMP12 P39900 2/20 0.36
MAPK1 P28482 1/20 0.36
LMNA P02545 2/20 0.36
THRB P10828 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
MMP1 P03956 1/20 0.34
MMP9 P14780 1/20 0.34

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
SCHEMBL11703006 0.77 ALDH1A1 (0.50) ALDH1A1GAAMMP2MMP12MAPK1
SCHEMBL1822255 0.77 ENPP1 (0.47) MAPTALDH1A1GAALMNAKMT2A
SCHEMBL1826067 0.72 PPARG (0.46) ALDH1A1GAAMAPK1L3MBTL1
SCHEMBL14434077 0.72 MAOB (0.56) MAPTMAOBPARP10ALDH1A1GAA
SCHEMBL11526561 0.71 L3MBTL1 (0.51) MAPTHPGDALDH1A1GAALMNA
SCHEMBL11589414 0.71 CTDSP1 (0.44) MAPTLMNAL3MBTL1KMT2A
SCHEMBL13532220 0.71 ACHE (0.46) MAPTHPGDALDH1A1LMNAKMT2A
SCHEMBL20523786 0.70 KMT2A (0.45) MAPTMAOBPARP10ALDH1A1MMP2
SCHEMBL11522867 0.70 MAPT (0.48) MAPTMAOBALDH1A1GAAMMP2
SCHEMBL24590268 0.70 MAPT (0.38) MAPTHPGDALDH1A1LMNAKMT2A

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
EP-1481967-A1 PROCESS FOR THE PREPARATION OF BIARYL COMPOUNDS Sumitomo Chemical Company, Limited (JP) 2004-12-01 EP disclosed