SCHEMBL6964708

SCHEMBL6964708

Cc1ccc(CSc2c(O)cc(-c3ccccc3)oc2=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
CCNC P24863 1/20 0.44
CDK8 P49336 1/20 0.44
KDM4E B2RXH2 3/20 0.44
DAO P14920 1/20 0.42
EGFR P00533 1/20 0.41
AR P10275 1/20 0.40
TNKS O95271 1/20 0.40
PARP1 P09874 1/20 0.40
MAOB P27338 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
ABL1 P00519 1/20 0.40
MAPT P10636 3/20 0.39
ALDH1A1 P00352 2/20 0.39
TP53 P04637 2/20 0.39
CYP3A4 P08684 2/20 0.39
HPGD P15428 2/20 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
SCHEMBL6963367 0.95 POLB (0.45) POLBSMN1; SMN2L3MBTL1CCNCCDK8
SCHEMBL6954786 0.91 SMN1; SMN2 (0.50) POLBSMN1; SMN2L3MBTL1CCNCCDK8
SCHEMBL6964536 0.88 DAO (0.46) POLBSMN1; SMN2L3MBTL1KDM4EDAO
SCHEMBL6953390 0.88 SMN1; SMN2 (0.49) POLBSMN1; SMN2L3MBTL1KDM4EDAO
SCHEMBL6963460 0.88 EGFR (0.41) POLBSMN1; SMN2L3MBTL1DAOEGFR
SCHEMBL6956208 0.87 NTRK1 (0.48) POLBSMN1; SMN2L3MBTL1KDM4EDAO
SCHEMBL6959313 0.86 POLB (0.50) POLBSMN1; SMN2L3MBTL1KDM4ETNKS
SCHEMBL6954509 0.85 NPC1 (0.47) POLBSMN1; SMN2L3MBTL1KDM4EDAO
SCHEMBL6964680 0.84 DAO (0.46) POLBSMN1; SMN2L3MBTL1KDM4EDAO
SCHEMBL6964669 0.84 ELANE (0.39) POLBSMN1; SMN2L3MBTL1KDM4EDAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0729466-A1 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1996-09-04 EP claimed
WO-1995014014-A2 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1995-05-26 WO claimed
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-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