SCHEMBL6959651

SCHEMBL6959651

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

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
TDP1 Q9NUW8 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 1/20 0.41
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
SFRP1 Q8N474 1/20 0.40
LTB4R Q15722 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
POLB P06746 1/20 0.38
CNR2 P34972 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
MAPT P10636 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL6603886 0.97 TDP1 (0.41) KMT2AMEN1TDP1SMN1; SMN2HPGD
SCHEMBL6604230 0.92 ALDH1A1 (0.41) KMT2AMEN1TDP1SMN1; SMN2ALDH1A1
SCHEMBL16684875 0.89 KMT2A (0.44) KMT2AMEN1TDP1SMN1; SMN2HPGD
SCHEMBL6605223 0.84 TAS2R14 (0.41) KMT2AMEN1SMN1; SMN2ALDH1A1LMNA
SCHEMBL6959646 0.83 TDP1 (0.43) KMT2AMEN1TDP1SMN1; SMN2ALDH1A1
SCHEMBL6603882 0.80 TDP1 (0.43) KMT2AMEN1TDP1SMN1; SMN2ALDH1A1
SCHEMBL9581272 0.80 ALDH1A1 (0.43) KMT2AMEN1TDP1SMN1; SMN2ALDH1A1
SCHEMBL10886550 0.79 FFAR4 (0.38) TDP1ALDH1A1LMNAMAPT
SCHEMBL6605344 0.78 TDP1 (0.42) KMT2AMEN1TDP1SMN1; SMN2ALDH1A1
SCHEMBL6962964 0.78 PTGS2 (0.43) KMT2AHPGDALDH1A1LMNAPOLB

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