SCHEMBL6959646

SCHEMBL6959646

Cc1ccc(S(=O)(=O)S)cc1CCCCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.43
SFRP1 Q8N474 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 2/20 0.40
CNR2 P34972 1/20 0.39
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL6603882 0.97 TDP1 (0.43) TDP1SFRP1MEN1KMT2APOLB
SCHEMBL6604223 0.91 SFRP1 (0.43) TDP1SFRP1MEN1KMT2APOLB
SCHEMBL16684875 0.85 KMT2A (0.44) TDP1SFRP1MEN1KMT2APOLB
SCHEMBL6605218 0.83 POLB (0.41) SFRP1MEN1KMT2APOLBCNR2
SCHEMBL6959651 0.83 KMT2A (0.42) TDP1SFRP1MEN1KMT2APOLB
SCHEMBL6603886 0.80 TDP1 (0.41) TDP1SFRP1MEN1KMT2APOLB
SCHEMBL6605334 0.77 CA12 (0.43) TDP1MEN1KMT2APOLBALDH1A1
SCHEMBL6962958 0.77 PTGS2 (0.45) MEN1KMT2APOLBALDH1A1LMNA
SCHEMBL9581272 0.76 ALDH1A1 (0.43) TDP1SFRP1MEN1KMT2APOLB
SCHEMBL5805217 0.76 CA2 (0.50) MEN1KMT2APOLBALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0729465-B1 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE DAVIS & CO (US) 2003-01-22 EP disclosed
US-6005103-A TREATMENT OF BACTERIAL AND VIRAL INFECTIONS AND DISEASES, INCLUDING AIDS WARNER-LAMBERT COMPANY (US) 1999-12-21 US disclosed
US-5808062-A AIDS THERAPY WARNER-LAMBERT COMPANY (US) 1998-09-15 US disclosed
EP-0729466-A1 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1996-09-04 EP disclosed
EP-0729465-A1 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1996-09-04 EP disclosed
WO-1995014013-A1 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1995-05-26 WO disclosed
WO-1995014014-A2 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1995-05-26 WO disclosed