SCHEMBL6604722

SCHEMBL6604722

CCCN(CCC)CCOc1cccc(NC(=O)c2csc(-c3cccc(Cl)c3Cl)n2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 1/20 0.49
PANK3 Q9H999 1/20 0.48
MAPT P10636 7/20 0.47
IRAK4 Q9NWZ3 2/20 0.46
THRB P10828 2/20 0.44
NR3C1 P04150 2/20 0.44
ALDH1A1 P00352 3/20 0.43
KMT2A Q03164 3/20 0.43
LMNA P02545 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
MEN1 O00255 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
ATM Q13315 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
FGFR1 P11362 1/20 0.41
SRC P12931 1/20 0.41
FGFR2 P21802 1/20 0.41

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
SCHEMBL6603342 0.88 PANK3 (0.53) TLR7PANK3MAPTIRAK4THRB
SCHEMBL6604034 0.86 MAPT (0.58) TLR7MAPTIRAK4ALDH1A1KMT2A
SCHEMBL6604151 0.86 TLR7 (0.46) TLR7PANK3MAPTIRAK4THRB
SCHEMBL6604075 0.86 IRAK4 (0.56) TLR7MAPTIRAK4THRBALDH1A1
SCHEMBL6605001 0.85 NPSR1 (0.55) TLR7MAPTIRAK4ALDH1A1KMT2A
SCHEMBL6603707 0.83 MAPT (0.46) MAPTIRAK4THRBNR3C1ALDH1A1
SCHEMBL6607011 0.83 ALDH1A1 (0.46) MAPTIRAK4THRBNR3C1ALDH1A1
SCHEMBL6604059 0.81 MAPK1 (0.57) TLR7MAPTIRAK4ALDH1A1KMT2A
SCHEMBL6603151 0.80 MCHR1 (0.50) TLR7PANK3MAPTLMNAKDM4E
SCHEMBL6604146 0.75 MCHR1 (0.51) TLR7PANK3KDM4ESMN1; SMN2HTR2C

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-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
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