SCHEMBL6958309

SCHEMBL6958309

O=c1oc(-c2ccccc2)cc(O)c1SCc1ccc2c(c1)OCO2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
GSK3A P49840 1/20 0.45
GSK3B P49841 1/20 0.45
ALDH1A1 P00352 6/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 1/20 0.43
HPGD P15428 4/20 0.43
MAPT P10636 2/20 0.43
VKORC1 Q9BQB6 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
LMNA P02545 2/20 0.42
HSD17B10 Q99714 1/20 0.42
DAO P14920 1/20 0.42
FAAH O00519 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MCHR1 Q99705 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL6964223 0.89 MAPT (0.49) SMN1; SMN2GSK3AGSK3BALDH1A1KMT2A
SCHEMBL6954786 0.83 SMN1; SMN2 (0.50) SMN1; SMN2GSK3AGSK3BALDH1A1KMT2A
SCHEMBL6960313 0.82 TERT (0.52) SMN1; SMN2GSK3AGSK3BALDH1A1HPGD
SCHEMBL6964680 0.81 DAO (0.46) SMN1; SMN2ALDH1A1KMT2AMEN1HPGD
SCHEMBL6964708 0.80 POLB (0.45) SMN1; SMN2ALDH1A1KMT2AMEN1HPGD
SCHEMBL6959313 0.79 POLB (0.50) SMN1; SMN2GSK3BALDH1A1KMT2AMEN1
SCHEMBL6964536 0.78 DAO (0.46) SMN1; SMN2TDP1ALDH1A1KMT2AMEN1
SCHEMBL6954509 0.77 NPC1 (0.47) SMN1; SMN2TDP1ALDH1A1KMT2AMEN1
SCHEMBL6956208 0.77 NTRK1 (0.48) SMN1; SMN2TDP1ALDH1A1HPGDMAPT
SCHEMBL6963798 0.77 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1HPGDHTTNPC1

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