SCHEMBL6609429

SCHEMBL6609429

CNC(CO)c1cccc(OC)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 3/20 0.54
L3MBTL1 Q9Y468 1/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
CASR P41180 2/20 0.48
MTNR1A P48039 2/20 0.47
MTNR1B P49286 2/20 0.47
ALDH1A1 P00352 1/20 0.46
KDM4E B2RXH2 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
GLS O94925 1/20 0.44

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
SCHEMBL18901412 0.87 ROCK2 (0.54) AOC3L3MBTL1CASRMTNR1AMTNR1B
SCHEMBL22149855 0.86 AOC3 (0.54) AOC3L3MBTL1TSHRMAPK1CASR
SCHEMBL17790226 0.84 AOC3 (0.51) AOC3L3MBTL1CASRMTNR1AMTNR1B
SCHEMBL8284248 0.84 AOC3 (0.51) AOC3L3MBTL1CASRMTNR1AMTNR1B
SCHEMBL4753419 0.84 TSHR (0.41) AOC3L3MBTL1TSHRMAPK1KDM4E
SCHEMBL11626138 0.83 AOC3 (0.54) AOC3L3MBTL1MAPK1CASRMTNR1A
SCHEMBL29676923 0.81 MTNR1A (0.56) L3MBTL1MTNR1AMTNR1BALDH1A1
SCHEMBL29676292 0.81 MTNR1A (0.56) L3MBTL1MTNR1AMTNR1BALDH1A1
SCHEMBL6634314 0.80 GPR88 (0.54) AOC3L3MBTL1TSHRMAPK1ALDH1A1
SCHEMBL14019014 0.80 GPR88 (0.54) AOC3L3MBTL1TSHRMAPK1ALDH1A1

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-1472260-A2 THIENO(3,2-B)PYRIDONES AS ANTIVIRAL COMPOUNDS PHARMACIA & UPJOHN COMPANY (US) 2004-11-03 EP disclosed
EP-1467999-A1 OXOTHIENO[3,2-B]PYRIDINECARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2004-10-20 EP disclosed
EP-1465895-A2 4-OXO-4,7-DIHYDROFURO(2,3-B)PYRIDINE-5-CARBOXAMIDE ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2004-10-13 EP disclosed
EP-1458719-A1 PYRIDOQUINOXALINE ANTIVIRALS PHARMACIA & UPJOHN COMPANY (US) 2004-09-22 EP disclosed
WO-2003059912-A1 OXOTHIENO (3, 2-B) PYRIDINECARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2003-07-24 WO disclosed
WO-2003059911-A2 4-OXO-4, 7-DIHYDROFURO[2,3-b]PYRIDINE-5-CARBOXAMIDE ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2003-07-24 WO disclosed
WO-2003059878-A2 THIENO (3, 2-B) PYRIDONES AS ANTIVIRAL COMPOUNDS PHARMACIA & UPJOHN COMPANY (US) 2003-07-24 WO disclosed
WO-2003053971-A1 PYRIDOQUINOXALINE ANTIVIRALS PHARMACIA & UPJOHN COMPANY (US) 2003-07-03 WO disclosed