SCHEMBL6963367

SCHEMBL6963367

Cc1ccc(-c2cc(O)c(SCc3ccccc3)c(=O)o2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.45
CCNC P24863 1/20 0.44
CDK8 P49336 1/20 0.44
EGFR P00533 1/20 0.44
AR P10275 1/20 0.43
TNKS O95271 1/20 0.43
PARP1 P09874 1/20 0.43
MAOB P27338 1/20 0.43
TNKS2 Q9H2K2 1/20 0.43
PARP2 Q9UGN5 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 2/20 0.41
PTPN1 P18031 1/20 0.40
DAO P14920 2/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
RAB9A P51151 2/20 0.39
HPGD P15428 1/20 0.39
NPC1 O15118 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
SCHEMBL6964708 0.95 POLB (0.45) POLBCCNCCDK8EGFRAR
SCHEMBL6954786 0.91 SMN1; SMN2 (0.50) POLBCCNCCDK8ARMAOB
SCHEMBL6963460 0.90 EGFR (0.41) POLBEGFRSMN1; SMN2L3MBTL1PTPN1
SCHEMBL6954509 0.90 NPC1 (0.47) POLBARTNKSMAOBSMN1; SMN2
SCHEMBL6953390 0.88 SMN1; SMN2 (0.49) POLBEGFRSMN1; SMN2L3MBTL1KDM4E
SCHEMBL6964536 0.88 DAO (0.46) POLBEGFRARSMN1; SMN2L3MBTL1
SCHEMBL6958649 0.87 NTRK1 (0.51) CDK8EGFRTNKSMAOBTNKS2
SCHEMBL6964669 0.86 ELANE (0.39) POLBEGFRSMN1; SMN2L3MBTL1KDM4E
SCHEMBL6965958 0.85 ELANE (0.40) POLBEGFRSMN1; SMN2L3MBTL1PTPN1
SCHEMBL6963454 0.84 ALOX5 (0.43) POLBSMN1; SMN2L3MBTL1PTPN1DAO

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