SCHEMBL6965164

SCHEMBL6965164

O=c1oc(-c2ccccc2)cc(O)c1Sc1cccc(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.43
POLB P06746 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CCNC P24863 1/20 0.43
CDK8 P49336 1/20 0.43
MAPT P10636 3/20 0.42
KMT2A Q03164 2/20 0.42
XBP1 P17861 1/20 0.42
AGTR1 P30556 1/20 0.42
RAB9A P51151 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
AR P10275 2/20 0.42
TOP2A P11388 1/20 0.40
ATM Q13315 1/20 0.40
CNR2 P34972 1/20 0.40
ALDH1A1 P00352 3/20 0.40
GAA P10253 1/20 0.40
LRRK2 Q5S007 1/20 0.39
CYP1A1 P04798 3/20 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
SCHEMBL7397801 0.85 SMN1; SMN2 (0.54) ABCG2L3MBTL1POLBSMN1; SMN2CCNC
SCHEMBL6965119 0.81 SMN1; SMN2 (0.46) L3MBTL1POLBSMN1; SMN2MAPTKMT2A
SCHEMBL6965057 0.81 SMN1; SMN2 (0.46) L3MBTL1POLBSMN1; SMN2CCNCCDK8
SCHEMBL6958076 0.80 SMN1; SMN2 (0.58) ABCG2L3MBTL1POLBSMN1; SMN2CCNC
SCHEMBL6964231 0.79 EDNRA (0.51) ABCG2L3MBTL1POLBSMN1; SMN2CCNC
SCHEMBL6965413 0.78 DAO (0.44) POLBCCNCCDK8MAPTKMT2A
SCHEMBL6958727 0.78 CYP1A2 (0.42) MAPTKMT2AARCNR2ALDH1A1
SCHEMBL6959378 0.77 PTPN1 (0.41) POLBCCNCCDK8CNR2ALDH1A1
SCHEMBL6962447 0.75 SMN1; SMN2 (0.41) L3MBTL1POLBSMN1; SMN2CCNCCDK8
SCHEMBL6958947 0.75 SMN1; SMN2 (0.49) L3MBTL1POLBSMN1; SMN2CCNCCDK8

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-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