SCHEMBL6965057

SCHEMBL6965057

Cc1cccc(Sc2c(O)cc(-c3ccccc3)oc2=O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
POLB P06746 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KDM4E B2RXH2 3/20 0.42
HTT P42858 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 3/20 0.41
CYP1A2 P05177 3/20 0.41
CYP1B1 Q16678 3/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP1A1 P04798 2/20 0.41
AR P10275 2/20 0.41
ALOX15 P16050 2/20 0.41
PKM P14618 2/20 0.41
FTO Q9C0B1 2/20 0.41
QPCT Q16769 1/20 0.41
TP53 P04637 2/20 0.40
HPGD P15428 2/20 0.40

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 0.88 SMN1; SMN2 (0.54) SMN1; SMN2POLBL3MBTL1KDM4EHTT
SCHEMBL6965119 0.85 SMN1; SMN2 (0.46) SMN1; SMN2POLBL3MBTL1KDM4EMEN1
SCHEMBL6960232 0.84 SMN1; SMN2 (0.42) SMN1; SMN2POLBL3MBTL1KDM4EHTT
SCHEMBL6964231 0.84 EDNRA (0.51) SMN1; SMN2POLBL3MBTL1KDM4EMEN1
SCHEMBL6958076 0.83 SMN1; SMN2 (0.58) SMN1; SMN2POLBL3MBTL1KDM4EHTT
SCHEMBL6958947 0.83 SMN1; SMN2 (0.49) SMN1; SMN2POLBL3MBTL1KDM4EHTT
SCHEMBL6965164 0.81 ABCG2 (0.45) SMN1; SMN2POLBL3MBTL1KDM4EMEN1
SCHEMBL6964536 0.79 DAO (0.46) SMN1; SMN2POLBL3MBTL1KDM4EMEN1
SCHEMBL6966155 0.79 SMN1; SMN2 (0.48) SMN1; SMN2POLBL3MBTL1KDM4EHTT
SCHEMBL6959070 0.78 POLB (0.42) SMN1; SMN2POLBL3MBTL1KDM4EHTT

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