SCHEMBL8599495

SCHEMBL8599495

O=S(=O)(Oc1ccc(-c2ccccc2)cc1)c1ccc(Br)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.54
CA2 P00918 8/20 0.54
CA12 O43570 6/20 0.54
CA9 Q16790 4/20 0.53
CA1 P00915 3/20 0.53
ALDH1A1 P00352 1/20 0.52
MAPK1 P28482 1/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
APEX1 P27695 1/20 0.50
ADAMTS4 O75173 1/20 0.49
PARL Q9H300 1/20 0.49
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAOB P27338 1/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 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
SCHEMBL8602840 1.00 TDP1 (0.54) TDP1CA2CA12CA9CA1
SCHEMBL11313379 0.95 TDP1 (0.61) TDP1CA2CA12CA9CA1
SCHEMBL27428841 0.89 TDP1 (0.67) TDP1CA2CA12CA9CA1
SCHEMBL10950314 0.87 TDP1 (0.58) TDP1CA2CA12CA9CA1
SCHEMBL8442031 0.87 TDP1 (0.58) TDP1CA2CA12CA9CA1
SCHEMBL2058543 0.87 TDP1 (0.69) TDP1CA2CA12CA9CA1
SCHEMBL17287705 0.85 CA2 (0.57) CA2CA12CA9CA1ALDH1A1
SCHEMBL24604538 0.83 CA2 (0.62) TDP1CA2CA12CA9CA1
SCHEMBL6937794 0.83 CA2 (0.62) TDP1CA2CA12CA9CA1
SCHEMBL8600833 0.83 TDP1 (0.80) TDP1CA2CA12CA9CA1

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-0508424-B1 Method for preparing sulfones SANKO KAIHATSU KAGAKU KENK (JP) 1998-02-04 EP disclosed
US-5248828-A Method for preparing sulfones SANKO KAIHATSU KAGAKU KENKYUSHO (JP) 1993-09-28 US disclosed
US-5235084-A METHOD FOR PREPARING SULFONES SANKO KAIHATSU KAGAKU KENKYUSHO (JP) 1993-08-10 US disclosed
EP-0508424-A2 Method for preparing sulfones Sanko Kaihatsu Kagaku Kenkyusho (JP) 1992-10-14 EP disclosed