SCHEMBL6964536

SCHEMBL6964536

Cc1cccc(CSc2c(O)cc(-c3ccccc3)oc2=O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.46
L3MBTL1 Q9Y468 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
CYP1A2 P05177 3/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
HPGD P15428 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
POLB P06746 1/20 0.43
SENP1 Q9P0U3 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 1/20 0.42
MAPT P10636 2/20 0.41
KDM4E B2RXH2 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
ABL1 P00519 1/20 0.40
EGFR P00533 1/20 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
SCHEMBL6953390 0.93 SMN1; SMN2 (0.49) DAOL3MBTL1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL6954786 0.89 SMN1; SMN2 (0.50) DAOL3MBTL1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL6964708 0.88 POLB (0.45) DAOL3MBTL1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL6963367 0.88 POLB (0.45) DAOL3MBTL1SMN1; SMN2HPGDNPC1
SCHEMBL6963460 0.85 EGFR (0.41) DAOL3MBTL1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL6958533 0.85 DAO (0.47) DAOL3MBTL1CYP1A2CYP2C9CYP2C19
SCHEMBL6963798 0.85 SMN1; SMN2 (0.51) L3MBTL1SMN1; SMN2HPGDNPC1RAB9A
SCHEMBL6960312 0.84 SMN1; SMN2 (0.41) L3MBTL1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL8538817 0.83 SMN1; SMN2 (0.45) L3MBTL1SMN1; SMN2CYP1A2HPGDPOLB
SCHEMBL6960796 0.83 TNKS (0.47) DAOL3MBTL1SMN1; SMN2CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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