SCHEMBL1822181

SCHEMBL1822181

CCc1ccccc1OS(=O)(=O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.59
ALDH1A1 P00352 3/20 0.54
MAPT P10636 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
METAP2 P50579 1/20 0.47
METAP1 P53582 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PSIP1 O75475 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HSD11B1 P28845 1/20 0.44
HSD17B3 P37058 1/20 0.44
HTR6 P50406 2/20 0.43
LMNA P02545 2/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL8499352 0.88 DHODH (0.59) DHODHALDH1A1MAPTMEN1KMT2A
SCHEMBL8837788 0.88 DHODH (0.52) DHODHALDH1A1MAPTL3MBTL1METAP2
SCHEMBL13724032 0.86 DHODH (0.58) DHODHALDH1A1MAPTL3MBTL1SMN1; SMN2
SCHEMBL10180452 0.84 THRA (0.48) DHODHALDH1A1MAPTL3MBTL1METAP2
SCHEMBL13723550 0.82 DHODH (0.54) DHODHALDH1A1MAPTRAB9AMEN1
SCHEMBL13723179 0.82 DHODH (0.48) DHODHALDH1A1METAP2METAP1TDP1
SCHEMBL31272384 0.82 ALDH1A1 (0.68) ALDH1A1MAPTL3MBTL1METAP2METAP1
SCHEMBL777281 0.80 L3MBTL1 (0.50) DHODHMAPTL3MBTL1SMN1; SMN2NPSR1
SCHEMBL3580857 0.80 DHODH (0.49) DHODHALDH1A1MAPTL3MBTL1METAP2
SCHEMBL9510398 0.79 DHODH (0.48) DHODHALDH1A1MAPTL3MBTL1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2161254-B1 Intermediate for preparing a biaryl compound SUMITOMO CHEMICAL CO (JP) 2014-08-13 EP disclosed
WO-2012142698-A1 ALKYLUREA DERIVATIVES ACTIVE AGAINST CANCER CELLS UNIVERSITE LAVAL (CA) 2012-10-26 WO disclosed
EP-1481967-B1 PROCESS FOR THE PREPARATION OF BIARYL COMPOUNDS SUMITOMO CHEMICAL CO (JP) 2011-05-04 EP disclosed
EP-2161254-A1 Intermediate for preparing a biaryl compound Sumitomo Chemical Company, Limited (JP) 2010-03-10 EP disclosed