SCHEMBL6959313

SCHEMBL6959313

O=C(O)c1ccc(CSc2c(O)cc(-c3ccccc3)oc2=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
TNKS O95271 1/20 0.45
VCP P55072 1/20 0.45
HPGD P15428 4/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
GFER P55789 1/20 0.44
TTR P02766 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 1/20 0.43
ALDH1A1 P00352 3/20 0.41
GSK3B P49841 1/20 0.40
ACMSD Q8TDX5 1/20 0.40
GAA P10253 1/20 0.40
KDM4E B2RXH2 2/20 0.38
GABRP O00591 1/20 0.38

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
SCHEMBL6954786 0.90 SMN1; SMN2 (0.50) POLBSMN1; SMN2L3MBTL1HPGDCYP1A2
SCHEMBL6963798 0.88 SMN1; SMN2 (0.51) POLBSMN1; SMN2L3MBTL1HPGDALDH1A1
SCHEMBL6958824 0.88 TNKS (0.48) POLBSMN1; SMN2L3MBTL1TNKSHPGD
SCHEMBL6964708 0.86 POLB (0.45) POLBSMN1; SMN2L3MBTL1TNKSHPGD
SCHEMBL6956056 0.84 TNKS (0.47) POLBSMN1; SMN2L3MBTL1TNKSVCP
SCHEMBL6954509 0.84 NPC1 (0.47) POLBSMN1; SMN2L3MBTL1TNKSHPGD
SCHEMBL6956208 0.83 NTRK1 (0.48) POLBSMN1; SMN2L3MBTL1TNKSHPGD
SCHEMBL6964680 0.83 DAO (0.46) POLBSMN1; SMN2L3MBTL1HPGDCYP1A2
SCHEMBL6960796 0.81 TNKS (0.47) POLBSMN1; SMN2L3MBTL1TNKSHPGD
SCHEMBL6963367 0.81 POLB (0.45) POLBSMN1; SMN2L3MBTL1TNKSHPGD

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 6 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
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