SCHEMBL6964213

SCHEMBL6964213

O=C(Oc1ccc(-c2cc(O)c(SCc3ccccc3)c(=O)o2)cc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KMT2A Q03164 6/20 0.44
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 3/20 0.44
GAA P10253 3/20 0.44
CA9 Q16790 3/20 0.42
CA12 O43570 2/20 0.42
MAPT P10636 3/20 0.39
GLA P06280 2/20 0.39
NPBWR1 P48145 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
PARP10 Q53GL7 1/20 0.38
MEN1 O00255 1/20 0.38
NSD2 O96028 1/20 0.38
PRSS1 P07477 2/20 0.37
TMPRSS15 P98073 2/20 0.37

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
SCHEMBL8586973 0.91 POLB (0.44) POLBSMN1; SMN2L3MBTL1KMT2AALDH1A1
SCHEMBL6958649 0.84 NTRK1 (0.51) SMN1; SMN2KMT2AALDH1A1KDM4EMAPT
SCHEMBL6954786 0.84 SMN1; SMN2 (0.50) POLBSMN1; SMN2L3MBTL1KMT2AALDH1A1
SCHEMBL6954509 0.83 NPC1 (0.47) POLBSMN1; SMN2L3MBTL1KMT2AALDH1A1
SCHEMBL6958824 0.82 TNKS (0.48) POLBSMN1; SMN2L3MBTL1ALDH1A1KDM4E
SCHEMBL6963367 0.81 POLB (0.45) POLBSMN1; SMN2L3MBTL1ALDH1A1KDM4E
SCHEMBL6954022 0.81 ABCB1 (0.53) L3MBTL1MAPTACHEPRKDC
SCHEMBL6956208 0.80 NTRK1 (0.48) POLBSMN1; SMN2L3MBTL1ALDH1A1KDM4E
SCHEMBL6963798 0.80 SMN1; SMN2 (0.51) POLBSMN1; SMN2L3MBTL1ALDH1A1HPGD
SCHEMBL6963884 0.80 GSK3B (0.48) POLBSMN1; SMN2L3MBTL1KMT2AALDH1A1

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 6 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
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