SCHEMBL6603707

SCHEMBL6603707

CCCN(CCC)CCOc1cccc(NC(=O)c2csc(-c3sccc3Br)n2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
NPSR1 Q6W5P4 2/20 0.46
NPC1 O15118 1/20 0.46
POLB P06746 1/20 0.46
PKM P14618 1/20 0.46
RAB9A P51151 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
IRAK4 Q9NWZ3 2/20 0.45
LMNA P02545 2/20 0.43
THRB P10828 2/20 0.42
NR3C1 P04150 2/20 0.42
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL6603701 0.88 IRAK4 (0.45) MAPTNPSR1NPC1POLBPKM
SCHEMBL6604034 0.86 MAPT (0.58) MAPTNPSR1POLBIRAK4LMNA
SCHEMBL6604075 0.85 IRAK4 (0.56) MAPTNPSR1POLBIRAK4LMNA
SCHEMBL6602784 0.85 MAPT (0.45) MAPTNPSR1NPC1POLBPKM
SCHEMBL6607011 0.84 ALDH1A1 (0.46) MAPTNPSR1POLBIRAK4LMNA
SCHEMBL6604722 0.83 TLR7 (0.49) MAPTNPSR1IRAK4LMNATHRB
SCHEMBL6604059 0.81 MAPK1 (0.57) MAPTNPSR1POLBIRAK4LMNA
SCHEMBL6605001 0.79 NPSR1 (0.55) MAPTNPSR1POLBIRAK4LMNA
SCHEMBL6602984 0.79 MCHR1 (0.49) MAPTNPSR1NPC1POLBPKM
SCHEMBL6604027 0.73 MAPT (0.58) MAPTNPSR1IRAK4LMNAKDM4E

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