SCHEMBL6603342

SCHEMBL6603342

CC(C)N(CCOc1cccc(NC(=O)c2csc(-c3cccc(Cl)c3Cl)n2)c1)C(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 1/20 0.53
TLR7 Q9NYK1 1/20 0.49
IRAK4 Q9NWZ3 2/20 0.46
MCHR1 Q99705 4/20 0.44
MAPT P10636 5/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
ATM Q13315 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
THRB P10828 1/20 0.41
HTR2C P28335 2/20 0.41
PLAU P00749 1/20 0.40
GRM4 Q14833 2/20 0.39

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
SCHEMBL6604722 0.88 TLR7 (0.49) PANK3TLR7IRAK4MAPTKDM4E
SCHEMBL6604027 0.86 MAPT (0.58) IRAK4MCHR1MAPTKDM4EMEN1
SCHEMBL6604146 0.86 MCHR1 (0.51) PANK3TLR7MCHR1KDM4ESMN1; SMN2
SCHEMBL6604067 0.86 IRAK4 (0.56) IRAK4MCHR1MAPTKDM4EMEN1
SCHEMBL6604994 0.85 NPSR1 (0.55) TLR7IRAK4MCHR1MAPTKDM4E
SCHEMBL6603701 0.83 IRAK4 (0.45) IRAK4MCHR1MAPTKDM4EMEN1
SCHEMBL6607004 0.83 IRAK4 (0.45) IRAK4MCHR1MAPTKDM4EMEN1
SCHEMBL6604053 0.81 MAPK1 (0.57) TLR7IRAK4MCHR1MAPTKDM4E
SCHEMBL6603151 0.75 MCHR1 (0.50) PANK3TLR7MCHR1MAPTKDM4E
SCHEMBL6604151 0.75 TLR7 (0.46) PANK3TLR7IRAK4MCHR1MAPT

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-1102535-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2004-09-29 EP claimed
EP-1102535-A2 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2001-05-30 EP claimed
WO-2000006085-A2 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-10 WO claimed
EP-1102535-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2004-09-29 EP disclosed
US-6399656-B1 USING A BENZOPYRAN-3-CARBOXAMIDE COMPOUND SMITHKLINE BEECHAM CORPORATION 2002-06-04 US disclosed
EP-1102535-A2 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2001-05-30 EP disclosed
WO-2000006085-A2 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-10 WO disclosed