SCHEMBL6604151

SCHEMBL6604151

CCCN(CCC)CCOc1cc(NC(=O)c2csc(-c3cccc(Cl)c3Cl)n2)ccc1OC

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 2/20 0.46
PANK3 Q9H999 1/20 0.46
MCHR1 Q99705 1/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
GRM4 Q14833 4/20 0.42
HDAC6 Q9UBN7 1/20 0.42
KDR P35968 2/20 0.41
MAPT P10636 3/20 0.41
TP53 P04637 2/20 0.41
LMNA P02545 1/20 0.41
THRB P10828 1/20 0.41
IRAK4 Q9NWZ3 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
SCHEMBL6603151 0.94 MCHR1 (0.50) TLR7PANK3MCHR1RAB9ASMN1; SMN2
SCHEMBL6604146 0.89 MCHR1 (0.51) TLR7PANK3MCHR1RAB9ASMN1; SMN2
SCHEMBL6603809 0.86 MCHR1 (0.54) TLR7MCHR1RAB9ASMN1; SMN2KDM4E
SCHEMBL6604722 0.86 TLR7 (0.49) TLR7PANK3SMN1; SMN2KDM4EMAPT
SCHEMBL6607034 0.85 MAPT (0.50) TLR7MCHR1RAB9ASMN1; SMN2KDM4E
SCHEMBL6603061 0.84 NPSR1 (0.54) MCHR1RAB9ASMN1; SMN2KDM4ENPC1
SCHEMBL6602784 0.83 MAPT (0.45) TLR7MCHR1RAB9ASMN1; SMN2KDM4E
SCHEMBL6602620 0.83 ALDH1A1 (0.52) TLR7MCHR1SMN1; SMN2KDM4EMAPT
SCHEMBL6603016 0.80 MCHR1 (0.62) TLR7MCHR1RAB9ASMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL6897971 0.79 LMNA (0.58) MCHR1RAB9ASMN1; SMN2KDM4ENPC1

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