SCHEMBL6960294

SCHEMBL6960294

CC(C)c1ccccc1Sc1c(O)cc(-c2ccncc2)oc1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 1/20 0.39
POLB P06746 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PIK3CD O00329 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
PIK3CG P48736 1/20 0.37
TNKS O95271 1/20 0.36
PARP1 P09874 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
ABCB1 P08183 2/20 0.36
CFTR P13569 2/20 0.35
CYP1A1 P04798 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP1B1 Q16678 1/20 0.35
ITGB2 P05107 2/20 0.34
ICAM1 P05362 2/20 0.34

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
SCHEMBL6961039 0.91 SMN1; SMN2 (0.46) POLBSMN1; SMN2L3MBTL1TNKSPARP1
SCHEMBL6963494 0.89 PTGES (0.43) QPCTPOLBSMN1; SMN2L3MBTL1TNKS
SCHEMBL6964468 0.88 USP1 (0.36) POLBSMN1; SMN2L3MBTL1TNKSPARP1
SCHEMBL6964073 0.88 AR (0.41) POLBSMN1; SMN2L3MBTL1TNKSPARP1
SCHEMBL6960106 0.87 CYP19A1 (0.39) L3MBTL1ABCB1MAPT
SCHEMBL6954281 0.87 ALDH1A1 (0.42) POLBSMN1; SMN2L3MBTL1TNKSPARP1
SCHEMBL6960601 0.87 AR (0.41) POLBSMN1; SMN2L3MBTL1TNKSPARP1
SCHEMBL6959292 0.86 POLB (0.35) QPCTPOLBSMN1; SMN2L3MBTL1TNKS
SCHEMBL6954542 0.85 L3MBTL1 (0.47) QPCTPOLBSMN1; SMN2L3MBTL1TNKS
SCHEMBL6961094 0.85 NTRK1 (0.49) POLBSMN1; SMN2TNKSTNKS2ABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5808062-A AIDS THERAPY WARNER-LAMBERT COMPANY (US) 1998-09-15 US claimed
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
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