SCHEMBL6966155

SCHEMBL6966155

Cc1ccccc1Sc1c(O)cc(-c2ccccc2)oc1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
POLB P06746 1/20 0.48
HTT P42858 1/20 0.46
KDM4E B2RXH2 6/20 0.43
MAOA P21397 4/20 0.42
MAOB P27338 4/20 0.42
ABCB1 P08183 4/20 0.41
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
PTGES O14684 1/20 0.40
HSP90AA1 P07900 1/20 0.40
CYP1A2 P05177 6/20 0.40
MAPT P10636 5/20 0.40
ALDH1A1 P00352 5/20 0.40
CYP1B1 Q16678 5/20 0.40
ALOX15 P16050 4/20 0.40
FTO Q9C0B1 4/20 0.40
CYP19A1 P11511 4/20 0.40
CYP1A1 P04798 4/20 0.40

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
SCHEMBL6958947 0.90 SMN1; SMN2 (0.49) SMN1; SMN2L3MBTL1POLBHTTKDM4E
SCHEMBL6958076 0.85 SMN1; SMN2 (0.58) SMN1; SMN2L3MBTL1POLBHTTKDM4E
SCHEMBL6958434 0.84 SMN1; SMN2 (0.46) SMN1; SMN2L3MBTL1POLBHTTKDM4E
SCHEMBL6961039 0.84 SMN1; SMN2 (0.46) SMN1; SMN2L3MBTL1POLBHTTKDM4E
SCHEMBL6963608 0.84 MEN1 (0.50) SMN1; SMN2L3MBTL1POLBHTTKDM4E
SCHEMBL8533692 0.84 SMN1; SMN2 (0.46) SMN1; SMN2L3MBTL1POLBHTTKDM4E
SCHEMBL6956759 0.83 SMN1; SMN2 (0.45) SMN1; SMN2L3MBTL1POLBHTTKDM4E
SCHEMBL6960421 0.83 KDM4E (0.48) SMN1; SMN2L3MBTL1POLBKDM4EABCB1
SCHEMBL6965799 0.82 PTGES (0.51) SMN1; SMN2L3MBTL1POLBKDM4EMAOA
SCHEMBL7397801 0.81 SMN1; SMN2 (0.54) SMN1; SMN2L3MBTL1POLBHTTKDM4E

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-0729465-A1 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1996-09-04 EP disclosed
EP-0729466-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