SCHEMBL6962833

SCHEMBL6962833

O=c1oc(-c2ccccc2)cc(O)c1S

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
POLB P06746 1/20 0.59
MAPT P10636 8/20 0.53
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
CYP3A4 P08684 5/20 0.53
FTO Q9C0B1 5/20 0.53
ALDH1A1 P00352 4/20 0.53
ALOX15 P16050 4/20 0.53
CYP1A2 P05177 4/20 0.53
CYP1B1 Q16678 4/20 0.53
CYP1A1 P04798 3/20 0.53
PKM P14618 3/20 0.53
AR P10275 1/20 0.53
ABCB1 P08183 7/20 0.50
KDM4E B2RXH2 4/20 0.50
TP53 P04637 4/20 0.50
HPGD P15428 4/20 0.50
HSD17B10 Q99714 4/20 0.50

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
Hydrochloric Acid SCHEMBL7373131 0.77 SMN1; SMN2 (0.58) SMN1; SMN2L3MBTL1POLBMAPTMEN1
SCHEMBL6958076 0.77 SMN1; SMN2 (0.58) SMN1; SMN2L3MBTL1POLBMAPTMEN1
SCHEMBL6952636 0.77 SMN1; SMN2 (0.58) SMN1; SMN2L3MBTL1POLBMAPTMEN1
SCHEMBL4244247 0.77 SMN1; SMN2 (0.77) SMN1; SMN2L3MBTL1POLBMAPTMEN1
SCHEMBL7371825 0.77 SMN1; SMN2 (0.54) SMN1; SMN2L3MBTL1POLBMAPTMEN1
SCHEMBL5632532 0.75 SMN1; SMN2 (0.72) SMN1; SMN2L3MBTL1POLBMAPTMEN1
SCHEMBL4369997 0.75 SMN1; SMN2 (0.72) SMN1; SMN2L3MBTL1POLBMAPTMEN1
SCHEMBL7370116 0.75 SMN1; SMN2 (1.00) SMN1; SMN2L3MBTL1POLBMAPTMEN1
SCHEMBL7397801 0.73 SMN1; SMN2 (0.54) SMN1; SMN2L3MBTL1POLBMAPTMEN1
SCHEMBL9030874 0.73 SMN1; SMN2 (0.53) SMN1; SMN2L3MBTL1POLBMAPTMEN1

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