SCHEMBL6604034

SCHEMBL6604034

CCCN(CCC)CCOc1cccc(NC(=O)c2csc(-c3ccccc3)n2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.58
LMNA P02545 4/20 0.58
ALDH1A1 P00352 3/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
ATM Q13315 2/20 0.58
NPSR1 Q6W5P4 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
GAA P10253 2/20 0.58
HPGD P15428 2/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
KDM4E B2RXH2 2/20 0.58
TDP1 Q9NUW8 2/20 0.56
IRAK4 Q9NWZ3 3/20 0.55
NPY1R P25929 1/20 0.50
NPY2R P49146 1/20 0.50
ATP4A P20648 4/20 0.49
ATP4B P51164 4/20 0.49
POLB P06746 1/20 0.47
TSHR P16473 1/20 0.47

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
SCHEMBL6604075 0.94 IRAK4 (0.56) MAPTLMNAALDH1A1SMN1; SMN2ATM
SCHEMBL6604059 0.89 MAPK1 (0.57) MAPTLMNAALDH1A1SMN1; SMN2ATM
SCHEMBL6604027 0.87 MAPT (0.58) MAPTLMNAALDH1A1SMN1; SMN2ATM
SCHEMBL6604722 0.86 TLR7 (0.49) MAPTLMNAALDH1A1SMN1; SMN2ATM
SCHEMBL6603707 0.86 MAPT (0.46) MAPTLMNAALDH1A1SMN1; SMN2ATM
SCHEMBL6607011 0.85 ALDH1A1 (0.46) MAPTLMNAALDH1A1SMN1; SMN2ATM
SCHEMBL6603809 0.85 MCHR1 (0.54) MAPTLMNAALDH1A1SMN1; SMN2ATM
SCHEMBL6606889 0.83 PARP1 (0.51) MAPTLMNAALDH1A1SMN1; SMN2NPSR1
SCHEMBL6605001 0.82 NPSR1 (0.55) MAPTLMNAALDH1A1SMN1; SMN2ATM
SCHEMBL6604067 0.81 IRAK4 (0.56) MAPTLMNAALDH1A1SMN1; SMN2ATM

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